4-(4-chlorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-chlorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(4-chlorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-(4-chlorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(4-chlorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(4-chlorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(methylthio)pyrimidine-5-carbonitrile Formula: C20H16ClFN4S MolecularWeight: 398.884243

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NCCC2=CC=C(C=C2)F)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=NC(=C(C(=N1)NCCC2=CC=C(C=C2)F)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClFN4S/c1-27-20-25-18(14-4-6-15(21)7-5-14)17(12-23)19(26-20)24-11-10-13-2-8-16(22)9-3-13/h2-9H,10-11H2,1H3,(H,24,25,26)