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

Systemtic Name: 4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]-N-(1-phenylethyl)benzamide Openeye Name: 4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]-N-(1-phenylethyl)benzamide CAS Name: 4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]-N-(1-phenylethyl)benzamide IUPAC Name: 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(1-phenylethyl)benzamide Traditional Name: 4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]-N-(1-phenylethyl)benzamide Formula: C26H23N3O2S MolecularWeight: 441.54472

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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)NC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O2S/c1-18-8-14-23(15-9-18)32-24-16-17-25(30)29(28-24)22-12-10-21(11-13-22)26(31)27-19(2)20-6-4-3-5-7-20/h3-17,19H,1-2H3,(H,27,31)