2-[(4-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]benzoic acid

Systemtic Name: 2-[(4-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]benzoic acid Openeye Name: 2-[(4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoic acid CAS Name: 2-[[4-methyl-3-(methylthio)-5-oxo-1,2,4-triazol-1-yl]methyl]benzoic acid IUPAC Name: 2-[(4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoic acid Traditional Name: 2-[[5-keto-4-methyl-3-(methylthio)-1,2,4-triazol-1-yl]methyl]benzoic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC2=CC=CC=C2C(=O)O)SC

Isomeric SMILES

CN1C(=NN(C1=O)CC2=CC=CC=C2C(=O)O)SC

InChI

InChI=1S/C12H13N3O3S/c1-14-11(19-2)13-15(12(14)18)7-8-5-3-4-6-9(8)10(16)17/h3-6H,7H2,1-2H3,(H,16,17)