N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-methyl-acetamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)CSC1=NNC(=O)N1CCC2=CC=CC=C2)C3(CCCCC3)C#N

InChI

InChI=1S/C20H25N5O2S/c1-24(20(15-21)11-6-3-7-12-20)17(26)14-28-19-23-22-18(27)25(19)13-10-16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-14H2,1H3,(H,22,27)