4-(2-tert-butyl-5-chloranyl-4-methoxy-phenyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(2-tert-butyl-5-chloranyl-4-methoxy-phenyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-(2-tert-butyl-5-chloro-4-methoxy-phenyl)-3-[[5-(trifluoromethyl)-2-pyridyl]sulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-(2-tert-butyl-5-chloro-4-methoxyphenyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(2-tert-butyl-5-chloro-4-methoxyphenyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-(2-tert-butyl-5-chloro-4-methoxy-phenyl)-3-[[5-(trifluoromethyl)-2-pyridyl]thio]-1H-1,2,4-triazol-5-one Formula: C19H18ClF3N4O2S MolecularWeight: 458.88503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1N2C(=O)NN=C2SC3=NC=C(C=C3)C(F)(F)F)Cl)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1N2C(=O)NN=C2SC3=NC=C(C=C3)C(F)(F)F)Cl)OC

InChI

InChI=1S/C19H18ClF3N4O2S/c1-18(2,3)11-7-14(29-4)12(20)8-13(11)27-16(28)25-26-17(27)30-15-6-5-10(9-24-15)19(21,22)23/h5-9H,1-4H3,(H,25,28)