2-[(4-methylphenyl)sulfanylmethyl]-4-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-methylphenyl)sulfanylmethyl]-4-methylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-methylsulfanyl-6-phenyl-2-(p-tolylsulfanylmethyl)pyrimidine-5-carbonitrile CAS Name: 2-[[(4-methylphenyl)thio]methyl]-4-(methylthio)-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 2-[(4-methylphenyl)sulfanylmethyl]-4-methylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-(methylthio)-6-phenyl-2-[(p-tolylthio)methyl]pyrimidine-5-carbonitrile Formula: C20H17N3S2 MolecularWeight: 363.49908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NC(=C(C(=N2)SC)C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NC(=C(C(=N2)SC)C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3S2/c1-14-8-10-16(11-9-14)25-13-18-22-19(15-6-4-3-5-7-15)17(12-21)20(23-18)24-2/h3-11H,13H2,1-2H3