3-[4-(phenylmethylsulfanyl)phenyl]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[4-(phenylmethylsulfanyl)phenyl]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(4-benzylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-[4-(phenylmethylthio)phenyl]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(4-benzylsulfanylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[4-(benzylthio)phenyl]-1H-pyrazole-5-carboxylic acid Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=C(C=C2)C3=NNC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=C(C=C2)C3=NNC(=C3)C(=O)O

InChI

InChI=1S/C17H14N2O2S/c20-17(21)16-10-15(18-19-16)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19)(H,20,21)