3-nitro-N-phenyl-4-sulfanyl-benzamide

Systemtic Name: 3-nitro-N-phenyl-4-sulfanyl-benzamide Openeye Name: 3-nitro-N-phenyl-4-sulfanyl-benzamide CAS Name: 4-mercapto-3-nitro-N-phenylbenzamide IUPAC Name: 3-nitro-N-phenyl-4-sulfanylbenzamide Traditional Name: 4-mercapto-3-nitro-N-phenyl-benzamide Formula: C13H10N2O3S MolecularWeight: 274.2951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O3S/c16-13(14-10-4-2-1-3-5-10)9-6-7-12(19)11(8-9)15(17)18/h1-8,19H,(H,14,16)