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

Systemtic Name: 4-[3-(4-chlorophenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]-N-(3-methylbutyl)benzamide Openeye Name: 4-[3-(4-chlorophenyl)sulfanyl-6-oxo-pyridazin-1-yl]-N-isopentyl-benzamide CAS Name: 4-[3-[(4-chlorophenyl)thio]-6-oxo-1-pyridazinyl]-N-(3-methylbutyl)benzamide IUPAC Name: 4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylbutyl)benzamide Traditional Name: 4-[3-[(4-chlorophenyl)thio]-6-keto-pyridazin-1-yl]-N-isoamyl-benzamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC=C(C=C1)N2C(=O)C=CC(=N2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CCNC(=O)C1=CC=C(C=C1)N2C(=O)C=CC(=N2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-15(2)13-14-24-22(28)16-3-7-18(8-4-16)26-21(27)12-11-20(25-26)29-19-9-5-17(23)6-10-19/h3-12,15H,13-14H2,1-2H3,(H,24,28)