(4-bromophenyl)-[2-(1-methylimidazol-2-yl)sulfanyl-5-nitro-phenyl]methanone

Systemtic Name: (4-bromophenyl)-[2-(1-methylimidazol-2-yl)sulfanyl-5-nitro-phenyl]methanone Openeye Name: (4-bromophenyl)-[2-(1-methylimidazol-2-yl)sulfanyl-5-nitro-phenyl]methanone CAS Name: (4-bromophenyl)-[2-[(1-methyl-2-imidazolyl)thio]-5-nitrophenyl]methanone IUPAC Name: (4-bromophenyl)-[2-(1-methylimidazol-2-yl)sulfanyl-5-nitrophenyl]methanone Traditional Name: (4-bromophenyl)-[2-[(1-methylimidazol-2-yl)thio]-5-nitro-phenyl]methanone Formula: C17H12BrN3O3S MolecularWeight: 418.26448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3O3S/c1-20-9-8-19-17(20)25-15-7-6-13(21(23)24)10-14(15)16(22)11-2-4-12(18)5-3-11/h2-10H,1H3