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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)-N-methylacetamide Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(1-cyanocyclohexyl)-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)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C)C2(CCCCC2)C#N)CC3=CC=CC=C3

InChI

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