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

Systemtic Name: 1-(4-methylsulfanylphenyl)-5-propan-2-yl-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-isopropyl-1-(4-methylsulfanylphenyl)triazole-4-carboxylic acid CAS Name: 1-[4-(methylthio)phenyl]-5-propan-2-yl-4-triazolecarboxylic acid IUPAC Name: 1-(4-methylsulfanylphenyl)-5-propan-2-yltriazole-4-carboxylic acid Traditional Name: 5-isopropyl-1-[4-(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=C(C=C2)SC)C(=O)O

Isomeric SMILES

CC(C)C1=C(N=NN1C2=CC=C(C=C2)SC)C(=O)O

InChI

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