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

Systemtic Name: N-(3-nitrophenyl)-2-[[2-(3-nitrophenyl)carbonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[2-(3-nitrobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: N-(3-nitrophenyl)-2-[[2-[(3-nitrophenyl)-oxomethyl]-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[2-(3-nitrobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[2-(3-nitrobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C23H16N6O6S MolecularWeight: 504.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H16N6O6S/c30-20(24-17-9-5-11-19(13-17)29(34)35)14-36-23-25-21(15-6-2-1-3-7-15)26-27(23)22(31)16-8-4-10-18(12-16)28(32)33/h1-13H,14H2,(H,24,30)