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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-phenylbenzoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C27H26N2O2S MolecularWeight: 442.57254

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O2S/c1-19-24(32-23-13-9-6-10-14-23)25(29(28-19)27(2,3)4)31-26(30)22-17-15-21(16-18-22)20-11-7-5-8-12-20/h5-18H,1-4H3