N-(1-cyanocyclohexyl)-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-methyl-acetamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC(=O)N(C)C3(CCCCC3)C#N

Isomeric SMILES

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC(=O)N(C)C3(CCCCC3)C#N

InChI

InChI=1S/C21H27N5OS/c1-16(2)19-23-20(24-26(19)17-10-6-4-7-11-17)28-14-18(27)25(3)21(15-22)12-8-5-9-13-21/h4,6-7,10-11,16H,5,8-9,12-14H2,1-3H3