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

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethanoylphenyl)-2-phenyl-ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide CAS Name: N-(3-acetylphenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-2-phenylacetamide IUPAC Name: N-(3-acetylphenyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: N-(3-acetylphenyl)-2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-2-phenyl-acetamide Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4CCCCC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4CCCCC4

InChI

InChI=1S/C27H30N4O2S/c1-3-17-31-25(21-13-8-5-9-14-21)29-30-27(31)34-24(20-11-6-4-7-12-20)26(33)28-23-16-10-15-22(18-23)19(2)32/h3-4,6-7,10-12,15-16,18,21,24H,1,5,8-9,13-14,17H2,2H3,(H,28,33)