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

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

CCC(C1=CC=CC=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O2S/c1-3-23(20-13-7-4-8-14-20)26(29)30-25-24(31-22-17-11-6-12-18-22)19(2)27-28(25)21-15-9-5-10-16-21/h4-18,23H,3H2,1-2H3