3-(3-phenyl-1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(3-phenyl-1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3-phenyl-1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-(3-phenyl-1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3-phenyl-1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3-phenyl-1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione Formula: C18H12F3N5S MolecularWeight: 387.38159

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C18H12F3N5S/c19-18(20,21)12-7-4-8-13(9-12)26-16(24-25-17(26)27)15-10-14(22-23-15)11-5-2-1-3-6-11/h1-10H,(H,22,23)(H,25,27)