N-(4-cyanophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-cyanophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-cyanophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-cyanophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-cyanophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-cyanophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C13H13N5OS MolecularWeight: 287.34022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)SC2=NN=CN2C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C#N)SC2=NN=CN2C

InChI

InChI=1S/C13H13N5OS/c1-9(20-13-17-15-8-18(13)2)12(19)16-11-5-3-10(7-14)4-6-11/h3-6,8-9H,1-2H3,(H,16,19)