N-(2-cyanoethyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-p-phenetyl-acetamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NN=C(N2C3CCCCC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NN=C(N2C3CCCCC3)C

InChI

InChI=1S/C22H29N5O2S/c1-3-29-20-12-10-18(11-13-20)26(15-7-14-23)21(28)16-30-22-25-24-17(2)27(22)19-8-5-4-6-9-19/h10-13,19H,3-9,15-16H2,1-2H3