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

Systemtic Name: N-(2-cyanoethyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanoethyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-cyanoethyl)acetamide Formula: C16H23N5OS MolecularWeight: 333.45172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCCC#N)C2CCCCC2

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCCC#N)C2CCCCC2

InChI

InChI=1S/C16H23N5OS/c1-2-11-21-15(13-7-4-3-5-8-13)19-20-16(21)23-12-14(22)18-10-6-9-17/h2,13H,1,3-8,10-12H2,(H,18,22)