4-[(3-azanylpyridin-4-yl)sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[(3-azanylpyridin-4-yl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(3-amino-4-pyridyl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(3-amino-4-pyridinyl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(3-aminopyridin-4-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(3-amino-4-pyridyl)thio]methyl]-3-nitro-benzamide Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])CSC2=C(C=NC=C2)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])CSC2=C(C=NC=C2)N

InChI

InChI=1S/C13H12N4O3S/c14-10-6-16-4-3-12(10)21-7-9-2-1-8(13(15)18)5-11(9)17(19)20/h1-6H,7,14H2,(H2,15,18)