4-[3-(3-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(2-methylsulfanylphenyl)butanamide

Systemtic Name: 4-[3-(3-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(2-methylsulfanylphenyl)butanamide Openeye Name: 4-[3-(3-methoxyphenyl)-6-oxo-pyridazin-1-yl]-N-(2-methylsulfanylphenyl)butanamide CAS Name: 4-[3-(3-methoxyphenyl)-6-oxo-1-pyridazinyl]-N-[2-(methylthio)phenyl]butanamide IUPAC Name: 4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)butanamide Traditional Name: 4-[6-keto-3-(3-methoxyphenyl)pyridazin-1-yl]-N-[2-(methylthio)phenyl]butyramide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C22H23N3O3S/c1-28-17-8-5-7-16(15-17)18-12-13-22(27)25(24-18)14-6-11-21(26)23-19-9-3-4-10-20(19)29-2/h3-5,7-10,12-13,15H,6,11,14H2,1-2H3,(H,23,26)