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

Systemtic Name: N-(2-cyanoethyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-cyanoethyl)-N-p-phenetyl-acetamide Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

InChI

InChI=1S/C24H31N5O2S/c1-3-16-29-23(19-9-6-5-7-10-19)26-27-24(29)32-18-22(30)28(17-8-15-25)20-11-13-21(14-12-20)31-4-2/h3,11-14,19H,1,4-10,16-18H2,2H3