N-butyl-4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide

Systemtic Name: N-butyl-4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide Openeye Name: N-butyl-4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]benzamide CAS Name: N-butyl-4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]benzamide IUPAC Name: N-butyl-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide Traditional Name: N-butyl-4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]benzamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)N2C(=O)C=CC(=N2)SC3=CC=C(C=C3)C

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)N2C(=O)C=CC(=N2)SC3=CC=C(C=C3)C

InChI

InChI=1S/C22H23N3O2S/c1-3-4-15-23-22(27)17-7-9-18(10-8-17)25-21(26)14-13-20(24-25)28-19-11-5-16(2)6-12-19/h5-14H,3-4,15H2,1-2H3,(H,23,27)