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

Systemtic Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)pyrimidine Openeye Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)pyrimidine CAS Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)thio]-4-(trifluoromethyl)pyrimidine IUPAC Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)pyrimidine Traditional Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)thio]-4-(trifluoromethyl)pyrimidine Formula: C13H8F3N5S MolecularWeight: 323.29633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NC(=N2)SC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C13H8F3N5S/c14-13(15,16)10-6-7-17-11(19-10)22-12-18-8-21(20-12)9-4-2-1-3-5-9/h1-8H