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

Systemtic Name: 4-azanyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(trifluoromethyl)phenyl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(trifluoromethyl)benzyl]thio]pyrimidine-5-carbonitrile Formula: C13H9F3N4S MolecularWeight: 310.29757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC=C(C(=N2)N)C#N)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC=C(C(=N2)N)C#N)C(F)(F)F

InChI

InChI=1S/C13H9F3N4S/c14-13(15,16)10-4-2-1-3-8(10)7-21-12-19-6-9(5-17)11(18)20-12/h1-4,6H,7H2,(H2,18,19,20)