4-chloranyl-2-ethanoyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenolate

Systemtic Name: 4-chloranyl-2-ethanoyl-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenolate Openeye Name: 2-acetyl-4-chloro-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenolate CAS Name: 2-acetyl-4-chloro-6-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]phenolate IUPAC Name: 2-acetyl-4-chloro-6-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenolate Traditional Name: 2-acetyl-4-chloro-6-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]phenolate Formula: C13H10ClF3N3O2S- MolecularWeight: 364.75061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1[O-])CSC2=NN=C(N2C)C(F)(F)F)Cl

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1[O-])CSC2=NN=C(N2C)C(F)(F)F)Cl

InChI

InChI=1S/C13H11ClF3N3O2S/c1-6(21)9-4-8(14)3-7(10(9)22)5-23-12-19-18-11(20(12)2)13(15,16)17/h3-4,22H,5H2,1-2H3/p-1