4-[3-(4-methoxyphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]-N-phenethyl-benzamide

Systemtic Name: 4-[3-(4-methoxyphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]-N-phenethyl-benzamide Openeye Name: 4-[3-(4-methoxyphenyl)sulfanyl-6-oxo-pyridazin-1-yl]-N-phenethyl-benzamide CAS Name: 4-[3-[(4-methoxyphenyl)thio]-6-oxo-1-pyridazinyl]-N-phenethylbenzamide IUPAC Name: 4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-phenethylbenzamide Traditional Name: 4-[6-keto-3-[(4-methoxyphenyl)thio]pyridazin-1-yl]-N-phenethyl-benzamide Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O3S/c1-32-22-11-13-23(14-12-22)33-24-15-16-25(30)29(28-24)21-9-7-20(8-10-21)26(31)27-18-17-19-5-3-2-4-6-19/h2-16H,17-18H2,1H3,(H,27,31)