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

Systemtic Name: N-(cyanomethyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N(CC#N)C2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N(CC#N)C2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C21H25N5OS/c1-2-14-26-20(17-9-5-3-6-10-17)23-24-21(26)28-16-19(27)25(15-13-22)18-11-7-4-8-12-18/h2,4,7-8,11-12,17H,1,3,5-6,9-10,14-16H2