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

Systemtic Name: 3-(benzotriazol-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(benzotriazol-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-benzotriazolylmethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(benzotriazol-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(benzotriazol-1-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione Formula: C16H11F3N6S MolecularWeight: 376.35895

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=NNC(=S)N3C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=NNC(=S)N3C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C16H11F3N6S/c17-16(18,19)10-4-3-5-11(8-10)25-14(21-22-15(25)26)9-24-13-7-2-1-6-12(13)20-23-24/h1-8H,9H2,(H,22,26)