N-(1-cyano-1-cyclopropyl-ethyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-cyano-1-cyclopropylethyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-cyano-1-cyclopropylethyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC(C)(C#N)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC(C)(C#N)C4CC4

InChI

InChI=1S/C23H23N5OS/c1-16-7-6-8-17(13-16)21-26-27-22(28(21)19-9-4-3-5-10-19)30-14-20(29)25-23(2,15-24)18-11-12-18/h3-10,13,18H,11-12,14H2,1-2H3,(H,25,29)