4-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-3-nitro-benzamide

Systemtic Name: 4-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-3-nitro-benzamide Openeye Name: 4-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: 4-[(1-methyl-5-phenyl-2-imidazolyl)thio]-3-nitrobenzamide IUPAC Name: 4-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-3-nitrobenzamide Traditional Name: 4-[(1-methyl-5-phenyl-imidazol-2-yl)thio]-3-nitro-benzamide Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN1C(=CN=C1SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H14N4O3S/c1-20-14(11-5-3-2-4-6-11)10-19-17(20)25-15-8-7-12(16(18)22)9-13(15)21(23)24/h2-10H,1H3,(H2,18,22)