4-[(3-fluorophenyl)amino]-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[(3-fluorophenyl)amino]-6-(4-methylphenyl)-2-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-(3-fluoroanilino)-2-methylsulfanyl-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-(3-fluoroanilino)-6-(4-methylphenyl)-2-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-(3-fluoroanilino)-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(3-fluoroanilino)-2-(methylthio)-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C19H15FN4S MolecularWeight: 350.412603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NC3=CC(=CC=C3)F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SC)NC3=CC(=CC=C3)F)C#N

InChI

InChI=1S/C19H15FN4S/c1-12-6-8-13(9-7-12)17-16(11-21)18(24-19(23-17)25-2)22-15-5-3-4-14(20)10-15/h3-10H,1-2H3,(H,22,23,24)