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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]benzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide Traditional Name: 4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]-N-veratryl-benzamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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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)NCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H25N3O4S/c1-18-4-11-22(12-5-18)35-25-14-15-26(31)30(29-25)21-9-7-20(8-10-21)27(32)28-17-19-6-13-23(33-2)24(16-19)34-3/h4-16H,17H2,1-3H3,(H,28,32)