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

Systemtic Name: N-(3-cyanophenyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyanophenyl)acetamide CAS Name: N-(3-cyanophenyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyanophenyl)acetamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(3-cyanophenyl)acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H19N5OS/c22-12-16-7-4-8-18(11-16)23-19(27)14-28-21-25-24-20(17-9-10-17)26(21)13-15-5-2-1-3-6-15/h1-8,11,17H,9-10,13-14H2,(H,23,27)