6-(3,4,5-triphenylpyrazol-1-yl)hexylsulfanyl propanoate

Systemtic Name: 6-(3,4,5-triphenylpyrazol-1-yl)hexylsulfanyl propanoate Openeye Name: 6-(3,4,5-triphenylpyrazol-1-yl)hexylsulfanyl propanoate CAS Name: propanoic acid [6-(3,4,5-triphenyl-1-pyrazolyl)hexylthio] ester IUPAC Name: 6-(3,4,5-triphenylpyrazol-1-yl)hexylsulfanyl propanoate Traditional Name: propionic acid [6-(3,4,5-triphenylpyrazol-1-yl)hexylthio] ester Formula: C30H32N2O2S MolecularWeight: 484.65228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OSCCCCCCN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)OSCCCCCCN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H32N2O2S/c1-2-27(33)34-35-23-15-4-3-14-22-32-30(26-20-12-7-13-21-26)28(24-16-8-5-9-17-24)29(31-32)25-18-10-6-11-19-25/h5-13,16-21H,2-4,14-15,22-23H2,1H3