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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-methylacetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-methyl-acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NN(C(=N1)C2CC2)C3=CC=CC=C3)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)CSC1=NN(C(=N1)C2CC2)C3=CC=CC=C3)C4(CCCCC4)C#N

InChI

InChI=1S/C21H25N5OS/c1-25(21(15-22)12-6-3-7-13-21)18(27)14-28-20-23-19(16-10-11-16)26(24-20)17-8-4-2-5-9-17/h2,4-5,8-9,16H,3,6-7,10-14H2,1H3