4-imidazol-1-yl-N-(3-methylsulfanylphenyl)-3-nitro-benzamide

Systemtic Name: 4-imidazol-1-yl-N-(3-methylsulfanylphenyl)-3-nitro-benzamide Openeye Name: 4-imidazol-1-yl-N-(3-methylsulfanylphenyl)-3-nitro-benzamide CAS Name: 4-(1-imidazolyl)-N-[3-(methylthio)phenyl]-3-nitrobenzamide IUPAC Name: 4-imidazol-1-yl-N-(3-methylsulfanylphenyl)-3-nitrobenzamide Traditional Name: 4-imidazol-1-yl-N-[3-(methylthio)phenyl]-3-nitro-benzamide Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O3S/c1-25-14-4-2-3-13(10-14)19-17(22)12-5-6-15(16(9-12)21(23)24)20-8-7-18-11-20/h2-11H,1H3,(H,19,22)