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

Systemtic Name: 4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]-N-propyl-benzamide Openeye Name: 4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]-N-propyl-benzamide CAS Name: 4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]-N-propylbenzamide IUPAC Name: 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-propylbenzamide Traditional Name: 4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]-N-propyl-benzamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-3-14-22-21(26)16-6-8-17(9-7-16)24-20(25)13-12-19(23-24)27-18-10-4-15(2)5-11-18/h4-13H,3,14H2,1-2H3,(H,22,26)