N-[4-[5-(3-nitrophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-4-yl]piperazin-1-yl]carbothioylbenzamide

Systemtic Name: N-[4-[5-(3-nitrophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-4-yl]piperazin-1-yl]carbothioylbenzamide Openeye Name: N-[4-[5-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-4-yl]piperazine-1-carbothioyl]benzamide CAS Name: N-[[4-[5-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-4-yl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-[4-[5-(3-nitrophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-4-yl]piperazine-1-carbothioyl]benzamide Traditional Name: N-[4-[6-keto-5-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-4-yl]piperazine-1-carbothioyl]benzamide Formula: C22H22N6O4S MolecularWeight: 466.51288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C=NNC(=O)C2C3=CC(=CC=C3)[N+](=O)[O-])C(=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2C=NNC(=O)C2C3=CC(=CC=C3)[N+](=O)[O-])C(=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N6O4S/c29-20(15-5-2-1-3-6-15)24-22(33)27-11-9-26(10-12-27)18-14-23-25-21(30)19(18)16-7-4-8-17(13-16)28(31)32/h1-8,13-14,18-19H,9-12H2,(H,25,30)(H,24,29,33)