4-(4-methylphenyl)-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfanyl-4-(p-tolyl)-6-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-methylphenyl)-2-(methylthio)-6-[[3-(trifluoromethyl)phenyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 2-(methylthio)-4-(p-tolyl)-6-[[3-(trifluoromethyl)phenyl]thio]pyrimidine-5-carbonitrile Formula: C20H14F3N3S2 MolecularWeight: 417.47047

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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(F)(F)F)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H14F3N3S2/c1-12-6-8-13(9-7-12)17-16(11-24)18(26-19(25-17)27-2)28-15-5-3-4-14(10-15)20(21,22)23/h3-10H,1-2H3