N-[(4-methylsulfanylphenyl)methyl]-2-[6-oxidanylidene-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]ethanamide

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]-2-[6-oxidanylidene-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]ethanamide Openeye Name: N-[(4-methylsulfanylphenyl)methyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide CAS Name: N-[[4-(methylthio)phenyl]methyl]-2-[6-oxo-3-(4-phenyl-1-piperazinyl)-1-pyridazinyl]acetamide IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide Traditional Name: 2-[6-keto-3-(4-phenylpiperazino)pyridazin-1-yl]-N-[4-(methylthio)benzyl]acetamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)CN2C(=O)C=CC(=N2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)CN2C(=O)C=CC(=N2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2S/c1-32-21-9-7-19(8-10-21)17-25-23(30)18-29-24(31)12-11-22(26-29)28-15-13-27(14-16-28)20-5-3-2-4-6-20/h2-12H,13-18H2,1H3,(H,25,30)