1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea (Q27455535)

1-Ethyl-3-{4-[(E)-2-(Pyridin-3-Yl)ethenyl]-5-(1h-Pyrrol-2-Yl)-1,3-Thiazol-2-Yl}urea (English)

19 October 2016

chemical formula

C₁₇H₁₇N₅OS

1 reference

1-Ethyl-3-{4-[(E)-2-(Pyridin-3-Yl)ethenyl]-5-(1h-Pyrrol-2-Yl)-1,3-Thiazol-2-Yl}urea (English)

19 October 2016

canonical SMILES

CCNC(=O)NC1=NC(=C(S1)C2=CC=CN2)C=CC3=CN=CC=C3

1 reference

1-Ethyl-3-{4-[(E)-2-(Pyridin-3-Yl)ethenyl]-5-(1h-Pyrrol-2-Yl)-1,3-Thiazol-2-Yl}urea (English)

19 October 2016

isomeric SMILES

CCNC(=O)NC1=NC(=C(S1)C2=CC=CN2)/C=C/C3=CN=CC=C3

1 reference

1-Ethyl-3-{4-[(E)-2-(Pyridin-3-Yl)ethenyl]-5-(1h-Pyrrol-2-Yl)-1,3-Thiazol-2-Yl}urea (English)

InChI=1S/C17H17N5OS/c1-2-19-16(23)22-17-21-14(8-7-12-5-3-9-18-11-12)15(24-17)13-6-4-10-20-13/h3-11,20H,2H2,1H3,(H2,19,21,22,23)/b8-7+

19 October 2016

Identifiers

InChI

1 reference

1-Ethyl-3-{4-[(E)-2-(Pyridin-3-Yl)ethenyl]-5-(1h-Pyrrol-2-Yl)-1,3-Thiazol-2-Yl}urea (English)

KXSSNSOHTLLWNT-BQYQJAHWSA-N

19 October 2016

InChIKey

1 reference

1-Ethyl-3-{4-[(E)-2-(Pyridin-3-Yl)ethenyl]-5-(1h-Pyrrol-2-Yl)-1,3-Thiazol-2-Yl}urea (English)

19 October 2016

1 reference

1-Ethyl-3-{4-[(E)-2-(Pyridin-3-Yl)ethenyl]-5-(1h-Pyrrol-2-Yl)-1,3-Thiazol-2-Yl}urea (English)

19 October 2016

1 reference

0 references

1 reference

5D6Q (English)