N-(2-cyano-3-methyl-butan-2-yl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H29N5OS2 MolecularWeight: 431.61786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(N1C2CCCCC2)CC3=CC=CS3

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(N1C2CCCCC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N5OS2/c1-15(2)21(3,14-22)23-19(27)13-29-20-25-24-18(12-17-10-7-11-28-17)26(20)16-8-5-4-6-9-16/h7,10-11,15-16H,4-6,8-9,12-13H2,1-3H3,(H,23,27)