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

Systemtic Name: 2-[(2-cyclohexylcarbonyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[[2-(cyclohexanecarbonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[[2-[cyclohexyl(oxo)methyl]-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[[2-(cyclohexanecarbonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[[2-(cyclohexanecarbonyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(3,5-dimethylphenyl)acetamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NC(=NN2C(=O)C3CCCCC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NC(=NN2C(=O)C3CCCCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H28N4O2S/c1-17-13-18(2)15-21(14-17)26-22(30)16-32-25-27-23(19-9-5-3-6-10-19)28-29(25)24(31)20-11-7-4-8-12-20/h3,5-6,9-10,13-15,20H,4,7-8,11-12,16H2,1-2H3,(H,26,30)