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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 3-bromanylbenzoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 3-bromobenzoate CAS Name: 3-bromobenzoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C23H17BrN2O2S MolecularWeight: 465.36228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17BrN2O2S/c1-16-21(29-20-13-6-3-7-14-20)22(26(25-16)19-11-4-2-5-12-19)28-23(27)17-9-8-10-18(24)15-17/h2-15H,1H3