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

Systemtic Name: N-(4-nitro-2-oxidanyl-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-hydroxy-4-nitro-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-hydroxy-4-nitrophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-hydroxy-4-nitrophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-hydroxy-4-nitro-phenyl)-2-[(1-phenyl-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)N2C=NC(=N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])O

InChI

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