2-[5-(3,4,5-triphenylpyrazol-1-yl)pentylsulfinyl]ethanoic acid

Systemtic Name: 2-[5-(3,4,5-triphenylpyrazol-1-yl)pentylsulfinyl]ethanoic acid Openeye Name: 2-[5-(3,4,5-triphenylpyrazol-1-yl)pentylsulfinyl]acetic acid CAS Name: 2-[5-(3,4,5-triphenyl-1-pyrazolyl)pentylsulfinyl]acetic acid IUPAC Name: 2-[5-(3,4,5-triphenylpyrazol-1-yl)pentylsulfinyl]acetic acid Traditional Name: 2-[5-(3,4,5-triphenylpyrazol-1-yl)pentylsulfinyl]acetic acid Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCCCCS(=O)CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)CCCCCS(=O)CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O3S/c31-25(32)21-34(33)20-12-4-11-19-30-28(24-17-9-3-10-18-24)26(22-13-5-1-6-14-22)27(29-30)23-15-7-2-8-16-23/h1-3,5-10,13-18H,4,11-12,19-21H2,(H,31,32)