N-[2-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-6-phenyl-pyridazin-4-yl]propanamide

Systemtic Name: N-[2-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3-oxidanylidene-6-phenyl-pyridazin-4-yl]propanamide Openeye Name: N-[2-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]-3-oxo-6-phenyl-pyridazin-4-yl]propanamide CAS Name: N-[2-[2-[3-(methylthio)anilino]-2-oxoethyl]-3-oxo-6-phenyl-4-pyridazinyl]propanamide IUPAC Name: N-[2-[2-(3-methylsulfanylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide Traditional Name: N-[3-keto-2-[2-keto-2-[3-(methylthio)anilino]ethyl]-6-phenyl-pyridazin-4-yl]propionamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=NN(C1=O)CC(=O)NC2=CC(=CC=C2)SC)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=CC(=NN(C1=O)CC(=O)NC2=CC(=CC=C2)SC)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O3S/c1-3-20(27)24-19-13-18(15-8-5-4-6-9-15)25-26(22(19)29)14-21(28)23-16-10-7-11-17(12-16)30-2/h4-13H,3,14H2,1-2H3,(H,23,28)(H,24,27)