4-[(2-aminophenyl)sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[(2-aminophenyl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(2-aminophenyl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(2-aminophenyl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(2-aminophenyl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(2-aminophenyl)thio]methyl]-3-nitro-benzamide Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O3S/c15-11-3-1-2-4-13(11)21-8-10-6-5-9(14(16)18)7-12(10)17(19)20/h1-7H,8,15H2,(H2,16,18)