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

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

CCN1C(=NN=C1SCC(=O)N(C)C2(CCCCC2)C#N)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C)C2(CCCCC2)C#N)C3=CC=CC=C3C

InChI

InChI=1S/C21H27N5OS/c1-4-26-19(17-11-7-6-10-16(17)2)23-24-20(26)28-14-18(27)25(3)21(15-22)12-8-5-9-13-21/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3