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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H23N5OS MolecularWeight: 357.47312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SC(C)C(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C18H23N5OS/c1-12(2)18(5,10-19)21-16(24)14(4)25-17-22-20-11-23(17)15-9-7-6-8-13(15)3/h6-9,11-12,14H,1-5H3,(H,21,24)