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

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)-2-phenyl-ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)-2-phenyl-acetamide CAS Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(2,5-dimethylphenyl)-2-phenylacetamide IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)-2-phenylacetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2,5-dimethylphenyl)-2-phenyl-acetamide Formula: C27H32N4OS MolecularWeight: 460.63418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4CCCCC4

InChI

InChI=1S/C27H32N4OS/c1-4-17-31-25(22-13-9-6-10-14-22)29-30-27(31)33-24(21-11-7-5-8-12-21)26(32)28-23-18-19(2)15-16-20(23)3/h4-5,7-8,11-12,15-16,18,22,24H,1,6,9-10,13-14,17H2,2-3H3,(H,28,32)