5-tert-butyl-3-[2-chloranyl-5-prop-2-ynoxy-4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-one

Systemtic Name: 5-tert-butyl-3-[2-chloranyl-5-prop-2-ynoxy-4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-one Openeye Name: 5-tert-butyl-3-[2-chloro-5-prop-2-ynoxy-4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-one CAS Name: 5-tert-butyl-3-[2-chloro-5-prop-2-ynoxy-4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-one IUPAC Name: 5-tert-butyl-3-[2-chloro-5-prop-2-ynoxy-4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-one Traditional Name: 5-tert-butyl-3-[2-chloro-5-propargyloxy-4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-one Formula: C16H14ClF3N2O2S MolecularWeight: 390.80777

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)S1)C2=C(C=C(C(=C2)OCC#C)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)S1)C2=C(C=C(C(=C2)OCC#C)C(F)(F)F)Cl

InChI

InChI=1S/C16H14ClF3N2O2S/c1-5-6-24-12-8-11(10(17)7-9(12)16(18,19)20)22-14(23)25-13(21-22)15(2,3)4/h1,7-8H,6H2,2-4H3