4-[2-nitro-4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-[2-nitro-4-(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-[2-nitro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]piperazine-1-carbothioamide CAS Name: 4-[2-nitro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-[2-nitro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-[4-(6-keto-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]piperazine-1-carbothioamide Formula: C15H18N6O3S MolecularWeight: 362.40682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCN(CC3)C(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCN(CC3)C(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O3S/c16-15(25)20-7-5-19(6-8-20)12-3-1-10(9-13(12)21(23)24)11-2-4-14(22)18-17-11/h1,3,9H,2,4-8H2,(H2,16,25)(H,18,22)