N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(5-nitro-2-oxidanyl-phenyl)methyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-2-(phenylthio)nicotinamide Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H15N3O4S/c23-17-9-8-14(22(25)26)11-13(17)12-21-18(24)16-7-4-10-20-19(16)27-15-5-2-1-3-6-15/h1-11,23H,12H2,(H,21,24)