3-(3-bromophenyl)-5-(3-nitropyridin-2-yl)sulfanyl-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-(3-bromophenyl)-5-(3-nitropyridin-2-yl)sulfanyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-(3-bromophenyl)-5-[(3-nitro-2-pyridyl)sulfanyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-(3-bromophenyl)-5-[(3-nitro-2-pyridinyl)thio]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-(3-bromophenyl)-5-(3-nitropyridin-2-yl)sulfanyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-(3-bromophenyl)-5-[(3-nitro-2-pyridyl)thio]-4,5-dihydro-1H-pyridazin-6-one Formula: C15H11BrN4O3S MolecularWeight: 407.24184

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NN=C1C2=CC(=CC=C2)Br)SC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1C(C(=O)NN=C1C2=CC(=CC=C2)Br)SC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H11BrN4O3S/c16-10-4-1-3-9(7-10)11-8-13(14(21)19-18-11)24-15-12(20(22)23)5-2-6-17-15/h1-7,13H,8H2,(H,19,21)