4-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(1-methyl-2-imidazolyl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(1-methylimidazol-2-yl)thio]methyl]-3-nitro-benzamide Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3S/c1-15-5-4-14-12(15)20-7-9-3-2-8(11(13)17)6-10(9)16(18)19/h2-6H,7H2,1H3,(H2,13,17)