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

Systemtic Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanone Openeye Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanone CAS Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-[3-(trifluoromethyl)phenyl]ethanone IUPAC Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]ethanone Traditional Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-[3-(trifluoromethyl)phenyl]ethanone Formula: C17H12F3N3OS MolecularWeight: 363.35689

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NN=C2SCC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=NN=C2SCC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H12F3N3OS/c18-17(19,20)13-6-4-5-12(9-13)15(24)10-25-16-22-21-11-23(16)14-7-2-1-3-8-14/h1-9,11H,10H2