2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM (Q27097779)

2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM (English)

19 October 2016

chemical formula

C₁₅H₁₆N₃S⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC=C(C=C1)CC(CS)C2=NC3=C(N2)C=[NH+]C=C3

1 reference

2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM (English)

19 October 2016

isomeric SMILES

C1=CC=C(C=C1)C[C@H](CS)C2=NC3=C(N2)C=[NH+]C=C3

1 reference

2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM (English)

InChI=1S/C15H15N3S/c19-10-12(8-11-4-2-1-3-5-11)15-17-13-6-7-16-9-14(13)18-15/h1-7,9,12,19H,8,10H2,(H,17,18)/p+1/t12-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM (English)

DCUCDCAIOMIBEA-GFCCVEGCSA-O

19 October 2016

InChIKey

1 reference

2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM (English)

19 October 2016

1 reference

2-[(2S)-1-Phenyl-3-sulfanyl-2-propanyl]-3H-imidazo[4,5-c]pyridin-5-ium (English)

19 October 2016

2 references

2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM (English)

matched by identifier from

19 October 2016

InChIKey

DCUCDCAIOMIBEA-GFCCVEGCSA-O

1 reference

1 reference

matched by identifier from

InChIKey

DCUCDCAIOMIBEA-GFCCVEGCSA-O

0 references

0 references

1 reference

1Y8J (English)