4-[(6-azanylpyridin-3-yl)sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[(6-azanylpyridin-3-yl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(6-amino-3-pyridyl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(6-amino-3-pyridinyl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(6-aminopyridin-3-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(6-amino-3-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=CN=C(C=C2)N

Isomeric SMILES

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

InChI

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