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

Systemtic Name: 4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide Openeye Name: N-[(4-isopropoxyphenyl)methyl]-4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]benzamide CAS Name: 4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide IUPAC Name: 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide Traditional Name: N-(4-isopropoxybenzyl)-4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]benzamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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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(C)C

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(C)C

InChI

InChI=1S/C28H27N3O3S/c1-19(2)34-24-12-6-21(7-13-24)18-29-28(33)22-8-10-23(11-9-22)31-27(32)17-16-26(30-31)35-25-14-4-20(3)5-15-25/h4-17,19H,18H2,1-3H3,(H,29,33)