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

Systemtic Name: 2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C23H24N6O6S MolecularWeight: 512.53826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O6S/c1-35-20-11-10-18(29(33)34)13-19(20)24-21(30)14-36-23-26-25-22(27(23)16-7-3-2-4-8-16)15-6-5-9-17(12-15)28(31)32/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,30)