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

Systemtic Name: 6-(2,4-dimethylphenyl)sulfanyl-2-(4-methoxyphenyl)-5-methyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 6-(2,4-dimethylphenyl)sulfanyl-2-(4-methoxyphenyl)-5-methyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 6-[(2,4-dimethylphenyl)thio]-2-(4-methoxyphenyl)-5-methyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 6-(2,4-dimethylphenyl)sulfanyl-2-(4-methoxyphenyl)-5-methyl-3-oxopyridazine-4-carbonitrile Traditional Name: 6-[(2,4-dimethylphenyl)thio]-3-keto-2-(4-methoxyphenyl)-5-methyl-pyridazine-4-carbonitrile Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=NN(C(=O)C(=C2C)C#N)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=NN(C(=O)C(=C2C)C#N)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H19N3O2S/c1-13-5-10-19(14(2)11-13)27-20-15(3)18(12-22)21(25)24(23-20)16-6-8-17(26-4)9-7-16/h5-11H,1-4H3