S-(4-methyl-5-phenyl-1,2,4-triazol-3-yl) 4-(trifluoromethyl)benzenecarbothioate

Systemtic Name: S-(4-methyl-5-phenyl-1,2,4-triazol-3-yl) 4-(trifluoromethyl)benzenecarbothioate Openeye Name: S-(4-methyl-5-phenyl-1,2,4-triazol-3-yl) 4-(trifluoromethyl)benzenecarbothioate CAS Name: 4-(trifluoromethyl)benzenecarbothioic acid S-(4-methyl-5-phenyl-1,2,4-triazol-3-yl) ester IUPAC Name: S-(4-methyl-5-phenyl-1,2,4-triazol-3-yl) 4-(trifluoromethyl)benzenecarbothioate Traditional Name: 4-(trifluoromethyl)thiobenzoic acid S-(4-methyl-5-phenyl-1,2,4-triazol-3-yl) ester Formula: C17H12F3N3OS MolecularWeight: 363.35689

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC(=O)C2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SC(=O)C2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C17H12F3N3OS/c1-23-14(11-5-3-2-4-6-11)21-22-16(23)25-15(24)12-7-9-13(10-8-12)17(18,19)20/h2-10H,1H3