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

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-N-methyl-2-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-N-methyl-2-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)N(C)C3(CCCCC3)C#N)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)N(C)C3(CCCCC3)C#N)C

InChI

InChI=1S/C20H25N5OS/c1-15-9-5-6-10-17(15)25-16(2)22-23-19(25)27-13-18(26)24(3)20(14-21)11-7-4-8-12-20/h5-6,9-10H,4,7-8,11-13H2,1-3H3