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

Systemtic Name: N-(3-nitrophenyl)-2-[[5-phenyl-2-(phenylcarbonyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(2-benzoyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[(2-benzoyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[(2-benzoyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(2-benzoyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C23H17N5O4S MolecularWeight: 459.47718

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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

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

InChI

InChI=1S/C23H17N5O4S/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/h1-14H,15H2,(H,24,29)