4-[(3-azanylpyridin-2-yl)sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[(3-azanylpyridin-2-yl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(3-amino-2-pyridyl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(3-amino-2-pyridinyl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(3-aminopyridin-2-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(3-amino-2-pyridyl)thio]methyl]-3-nitro-benzamide Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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