(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 4-phenylbutanoate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 4-phenylbutanoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 4-phenylbutanoate CAS Name: 4-phenylbutanoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 4-phenylbutanoate Traditional Name: 4-phenylbutyric acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O2S/c1-20-25(31-23-17-9-4-10-18-23)26(28(27-20)22-15-7-3-8-16-22)30-24(29)19-11-14-21-12-5-2-6-13-21/h2-10,12-13,15-18H,11,14,19H2,1H3