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

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethanoylphenyl)ethanamide Openeye Name: N-(2-acetylphenyl)-2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-acetylphenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-acetylphenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-acetylphenyl)-2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3CCCCC3

InChI

InChI=1S/C21H26N4O2S/c1-3-13-25-20(16-9-5-4-6-10-16)23-24-21(25)28-14-19(27)22-18-12-8-7-11-17(18)15(2)26/h3,7-8,11-12,16H,1,4-6,9-10,13-14H2,2H3,(H,22,27)