1-(4-methylphenyl)-4-methylsulfanyl-2-(4-methylsulfonylphenyl)-6-oxidanylidene-pyrimidine-5-carbonitrile

Systemtic Name: 1-(4-methylphenyl)-4-methylsulfanyl-2-(4-methylsulfonylphenyl)-6-oxidanylidene-pyrimidine-5-carbonitrile Openeye Name: 4-methylsulfanyl-2-(4-methylsulfonylphenyl)-6-oxo-1-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-4-(methylthio)-6-oxo-5-pyrimidinecarbonitrile IUPAC Name: 1-(4-methylphenyl)-4-methylsulfanyl-2-(4-methylsulfonylphenyl)-6-oxopyrimidine-5-carbonitrile Traditional Name: 6-keto-2-(4-mesylphenyl)-4-(methylthio)-1-(p-tolyl)pyrimidine-5-carbonitrile Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC(=C(C2=O)C#N)SC)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC(=C(C2=O)C#N)SC)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H17N3O3S2/c1-13-4-8-15(9-5-13)23-18(22-19(27-2)17(12-21)20(23)24)14-6-10-16(11-7-14)28(3,25)26/h4-11H,1-3H3