4-[1-(4-methylphenyl)-6-oxidanylidene-pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[1-(4-methylphenyl)-6-oxidanylidene-pyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-4-[6-oxo-1-(p-tolyl)pyridazin-3-yl]piperazine-1-carboxamide CAS Name: 4-[1-(4-methylphenyl)-6-oxo-3-pyridazinyl]-N-[3-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-[6-keto-1-(p-tolyl)pyridazin-3-yl]-N-[3-(methylthio)phenyl]piperazine-1-carboxamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C=CC(=N2)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)SC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C=CC(=N2)N3CCN(CC3)C(=O)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C23H25N5O2S/c1-17-6-8-19(9-7-17)28-22(29)11-10-21(25-28)26-12-14-27(15-13-26)23(30)24-18-4-3-5-20(16-18)31-2/h3-11,16H,12-15H2,1-2H3,(H,24,30)