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

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

Systemtic Name:2-[5-(3,4,5-triphenylpyrazol-1-yl)pentylsulfanyl]ethanoic acid
Openeye Name:2-[5-(3,4,5-triphenylpyrazol-1-yl)pentylsulfanyl]acetic acid
CAS Name:2-[5-(3,4,5-triphenyl-1-pyrazolyl)pentylthio]acetic acid
IUPAC Name:2-[5-(3,4,5-triphenylpyrazol-1-yl)pentylsulfanyl]acetic acid
Traditional Name:2-[5-(3,4,5-triphenylpyrazol-1-yl)pentylthio]acetic acid
Formula: C28H28N2O2S
MolecularWeight: 456.59912
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C28H28N2O2S/c31-25(32)21-33-20-12-4-11-19-30-28(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)


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