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

Systemtic Name: 4-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C14H8ClF3N4S MolecularWeight: 356.75333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NNC(=S)N2C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CN=C1)C2=NNC(=S)N2C3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C14H8ClF3N4S/c15-10-4-3-9(14(16,17)18)6-11(10)22-12(20-21-13(22)23)8-2-1-5-19-7-8/h1-7H,(H,21,23)