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

Systemtic Name: 2-[(2-cyclohexylcarbonyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[[2-(cyclohexanecarbonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[[2-[cyclohexyl(oxo)methyl]-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[[2-(cyclohexanecarbonyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[2-(cyclohexanecarbonyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C23H23N5O4S MolecularWeight: 465.52482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2C(=NC(=N2)C3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)N2C(=NC(=N2)C3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O4S/c29-20(24-18-12-7-13-19(14-18)28(31)32)15-33-23-25-21(16-8-3-1-4-9-16)26-27(23)22(30)17-10-5-2-6-11-17/h1,3-4,7-9,12-14,17H,2,5-6,10-11,15H2,(H,24,29)