4,5-dimethyl-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidine

Systemtic Name: 4,5-dimethyl-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidine Openeye Name: 4,5-dimethyl-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidine CAS Name: 4,5-dimethyl-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-2-(trifluoromethyl)pyrimidine IUPAC Name: 4,5-dimethyl-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidine Traditional Name: 4,5-dimethyl-6-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-2-(trifluoromethyl)pyrimidine Formula: C15H12F3N5S MolecularWeight: 351.34949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1SC2=NNC(=N2)C3=CC=CC=C3)C(F)(F)F)C

Isomeric SMILES

CC1=C(N=C(N=C1SC2=NNC(=N2)C3=CC=CC=C3)C(F)(F)F)C

InChI

InChI=1S/C15H12F3N5S/c1-8-9(2)19-13(15(16,17)18)21-12(8)24-14-20-11(22-23-14)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,20,22,23)