1-(4-methylsulfanylphenyl)-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-methylsulfanylphenyl)-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid Openeye Name: 4-(3-hydroxypropyl)-1-(4-methylsulfanylphenyl)pyrazole-3-carboxylic acid CAS Name: 4-(3-hydroxypropyl)-1-[4-(methylthio)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-(3-hydroxypropyl)-1-(4-methylsulfanylphenyl)pyrazole-3-carboxylic acid Traditional Name: 4-(3-hydroxypropyl)-1-[4-(methylthio)phenyl]pyrazole-3-carboxylic acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2C=C(C(=N2)C(=O)O)CCCO

Isomeric SMILES

CSC1=CC=C(C=C1)N2C=C(C(=N2)C(=O)O)CCCO

InChI

InChI=1S/C14H16N2O3S/c1-20-12-6-4-11(5-7-12)16-9-10(3-2-8-17)13(15-16)14(18)19/h4-7,9,17H,2-3,8H2,1H3,(H,18,19)