methyl 3-nitro-4-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]benzoate

Systemtic Name: methyl 3-nitro-4-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]benzoate Openeye Name: methyl 3-nitro-4-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]benzoate CAS Name: 3-nitro-4-[(5-phenyl-1H-imidazol-2-yl)thio]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]benzoate Traditional Name: 3-nitro-4-[(5-phenyl-1H-imidazol-2-yl)thio]benzoic acid methyl ester Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SC2=NC=C(N2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SC2=NC=C(N2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O4S/c1-24-16(21)12-7-8-15(14(9-12)20(22)23)25-17-18-10-13(19-17)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19)