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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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