2-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine-5-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine-5-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-4-(trifluoromethyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine-5-carbonitrile Traditional Name: 2-[(4-chlorobenzyl)thio]-4-(trifluoromethyl)pyrimidine-5-carbonitrile Formula: C13H7ClF3N3S MolecularWeight: 329.72799

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=C(C(=N2)C(F)(F)F)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=C(C(=N2)C(F)(F)F)C#N)Cl

InChI

InChI=1S/C13H7ClF3N3S/c14-10-3-1-8(2-4-10)7-21-12-19-6-9(5-18)11(20-12)13(15,16)17/h1-4,6H,7H2