2-(4-methoxyphenyl)-5-methyl-3-oxidanylidene-6-(4-propan-2-ylphenyl)sulfanyl-pyridazine-4-carbonitrile

Systemtic Name: 2-(4-methoxyphenyl)-5-methyl-3-oxidanylidene-6-(4-propan-2-ylphenyl)sulfanyl-pyridazine-4-carbonitrile Openeye Name: 6-(4-isopropylphenyl)sulfanyl-2-(4-methoxyphenyl)-5-methyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-(4-methoxyphenyl)-5-methyl-3-oxo-6-[(4-propan-2-ylphenyl)thio]-4-pyridazinecarbonitrile IUPAC Name: 2-(4-methoxyphenyl)-5-methyl-3-oxo-6-(4-propan-2-ylphenyl)sulfanylpyridazine-4-carbonitrile Traditional Name: 3-keto-2-(4-methoxyphenyl)-5-methyl-6-(p-cumenylthio)pyridazine-4-carbonitrile Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1SC2=CC=C(C=C2)C(C)C)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1SC2=CC=C(C=C2)C(C)C)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C22H21N3O2S/c1-14(2)16-5-11-19(12-6-16)28-21-15(3)20(13-23)22(26)25(24-21)17-7-9-18(27-4)10-8-17/h5-12,14H,1-4H3