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

Systemtic Name: 2-(4-methoxyphenyl)-5-methyl-6-(4-methylsulfonylphenyl)sulfanyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 2-(4-methoxyphenyl)-5-methyl-6-(4-methylsulfonylphenyl)sulfanyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-(4-methoxyphenyl)-5-methyl-6-[(4-methylsulfonylphenyl)thio]-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-(4-methoxyphenyl)-5-methyl-6-(4-methylsulfonylphenyl)sulfanyl-3-oxopyridazine-4-carbonitrile Traditional Name: 3-keto-6-[(4-mesylphenyl)thio]-2-(4-methoxyphenyl)-5-methyl-pyridazine-4-carbonitrile Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S2/c1-13-18(12-21)20(24)23(14-4-6-15(27-2)7-5-14)22-19(13)28-16-8-10-17(11-9-16)29(3,25)26/h4-11H,1-3H3