4-(4-methylphenyl)-6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-6-(3-methylphenyl)sulfanyl-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-(m-tolylsulfanyl)-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-6-[(3-methylphenyl)thio]-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-6-(3-methylphenyl)sulfanyl-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-(m-tolylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C20H17N3S2 MolecularWeight: 363.49908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)SC3=CC=CC(=C3)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)SC3=CC=CC(=C3)C)C#N

InChI

InChI=1S/C20H17N3S2/c1-13-7-9-15(10-8-13)18-17(12-21)19(23-20(22-18)24-3)25-16-6-4-5-14(2)11-16/h4-11H,1-3H3