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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 4-phenylbenzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C29H22N2O2S MolecularWeight: 462.56218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H22N2O2S/c1-21-27(34-26-15-9-4-10-16-26)28(31(30-21)25-13-7-3-8-14-25)33-29(32)24-19-17-23(18-20-24)22-11-5-2-6-12-22/h2-20H,1H3