1-(2-methylsulfanylphenyl)-5-propan-2-yl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(2-methylsulfanylphenyl)-5-propan-2-yl-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-isopropyl-1-(2-methylsulfanylphenyl)triazole-4-carboxylic acid CAS Name: 1-[2-(methylthio)phenyl]-5-propan-2-yl-4-triazolecarboxylic acid IUPAC Name: 1-(2-methylsulfanylphenyl)-5-propan-2-yltriazole-4-carboxylic acid Traditional Name: 5-isopropyl-1-[2-(methylthio)phenyl]triazole-4-carboxylic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N=NN1C2=CC=CC=C2SC)C(=O)O

Isomeric SMILES

CC(C)C1=C(N=NN1C2=CC=CC=C2SC)C(=O)O

InChI

InChI=1S/C13H15N3O2S/c1-8(2)12-11(13(17)18)14-15-16(12)9-6-4-5-7-10(9)19-3/h4-8H,1-3H3,(H,17,18)