N-(2-cyanoethyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SC(C)C(=O)N(CCC#N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SC(C)C(=O)N(CCC#N)C3=CC=CC=C3)C

InChI

InChI=1S/C22H23N5OS/c1-16-9-7-12-20(15-16)27-18(3)24-25-22(27)29-17(2)21(28)26(14-8-13-23)19-10-5-4-6-11-19/h4-7,9-12,15,17H,8,14H2,1-3H3