N-(4-nitro-2-oxidanyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-nitro-2-oxidanyl-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-hydroxy-4-nitro-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-hydroxy-4-nitrophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-hydroxy-4-nitrophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-hydroxy-4-nitro-phenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H13N5O4S MolecularWeight: 371.37052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H13N5O4S/c22-13-8-11(21(24)25)6-7-12(13)17-14(23)9-26-16-18-15(19-20-16)10-4-2-1-3-5-10/h1-8,22H,9H2,(H,17,23)(H,18,19,20)