2-phenyl-4-propylsulfanyl-pyrazole-3-carboxylic acid

Systemtic Name: 2-phenyl-4-propylsulfanyl-pyrazole-3-carboxylic acid Openeye Name: 2-phenyl-4-propylsulfanyl-pyrazole-3-carboxylic acid CAS Name: 2-phenyl-4-(propylthio)-3-pyrazolecarboxylic acid IUPAC Name: 2-phenyl-4-propylsulfanylpyrazole-3-carboxylic acid Traditional Name: 2-phenyl-4-(propylthio)pyrazole-3-carboxylic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(N(N=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCSC1=C(N(N=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H14N2O2S/c1-2-8-18-11-9-14-15(12(11)13(16)17)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,17)