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

Systemtic Name: N-(3-methylbutyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide Openeye Name: N-isopentyl-4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]benzamide CAS Name: N-(3-methylbutyl)-4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]benzamide IUPAC Name: N-(3-methylbutyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide Traditional Name: N-isoamyl-4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]benzamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NCCC(C)C

InChI

InChI=1S/C23H25N3O2S/c1-16(2)14-15-24-23(28)18-6-8-19(9-7-18)26-22(27)13-12-21(25-26)29-20-10-4-17(3)5-11-20/h4-13,16H,14-15H2,1-3H3,(H,24,28)