4-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-methyl-2-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-methyl-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-methyl-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-[(2-chloro-6-fluorophenyl)methylthio]-6-methyl-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-methyl-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-[(2-chloro-6-fluoro-benzyl)thio]-6-methyl-2-phenyl-pyrimidine-5-carbonitrile Formula: C19H13ClFN3S MolecularWeight: 369.843023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC3=C(C=CC=C3Cl)F)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC3=C(C=CC=C3Cl)F)C#N

InChI

InChI=1S/C19H13ClFN3S/c1-12-14(10-22)19(24-18(23-12)13-6-3-2-4-7-13)25-11-15-16(20)8-5-9-17(15)21/h2-9H,11H2,1H3