N-(3-cyanophenyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(3-cyanophenyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyanophenyl)propanamide CAS Name: N-(3-cyanophenyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyanophenyl)propanamide Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(3-cyanophenyl)propionamide Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SC(C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SC(C)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H19N5OS/c1-14(19(26)22-18-10-6-9-17(11-18)12-21)27-20-24-23-15(2)25(20)13-16-7-4-3-5-8-16/h3-11,14H,13H2,1-2H3,(H,22,26)