N-[4-(diethylamino)-2-methyl-phenyl]-4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide

Systemtic Name: N-[4-(diethylamino)-2-methyl-phenyl]-4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide Openeye Name: N-[4-(diethylamino)-2-methyl-phenyl]-4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]benzamide CAS Name: N-[4-(diethylamino)-2-methylphenyl]-4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]benzamide IUPAC Name: N-[4-(diethylamino)-2-methylphenyl]-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide Traditional Name: N-[4-(diethylamino)-2-methyl-phenyl]-4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]benzamide Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C=CC(=N3)SC4=CC=C(C=C4)C)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=O)C=CC(=N3)SC4=CC=C(C=C4)C)C

InChI

InChI=1S/C29H30N4O2S/c1-5-32(6-2)24-13-16-26(21(4)19-24)30-29(35)22-9-11-23(12-10-22)33-28(34)18-17-27(31-33)36-25-14-7-20(3)8-15-25/h7-19H,5-6H2,1-4H3,(H,30,35)