2-[(2,5-dimethylphenyl)methylthio]-5-(3-pyridinyl)-1,3,4-oxadiazole (Q27209351)

MLS000074430 (English)

11 October 2016

chemical formula

C₁₆H₁₅N₃OS

1 reference

MLS000074430 (English)

11 October 2016

canonical SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)C3=CN=CC=C3

1 reference

MLS000074430 (English)

InChI=1S/C16H15N3OS/c1-11-5-6-12(2)14(8-11)10-21-16-19-18-15(20-16)13-4-3-7-17-9-13/h3-9H,10H2,1-2H3

11 October 2016

Identifiers

InChI

1 reference

MLS000074430 (English)

RMMCKEVEQQHBQD-UHFFFAOYSA-N

11 October 2016

InChIKey

2 references

MLS000074430 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-{5-[(2,5-Dimethylbenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}pyridine (English)

11 October 2016

2 references

MLS000074430 (English)

matched by identifier from

11 October 2016

InChIKey

RMMCKEVEQQHBQD-UHFFFAOYSA-N

ChEBI ID

121108

mapping relation type

2 references

2-[(2,5-dimethylphenyl)methylthio]-5-(3-pyridinyl)-1,3,4-oxadiazole (English)

matched by identifier from

11 October 2016

International Chemical Identifier

InChI

InChI=1S/C16H15N3OS/c1-11-5-6-12(2)14(8-11)10-21-16-19-18-15(20-16)13-4-3-7-17-9-13/h3-9H,10H2,1-2H3

1 reference