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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-fluoranylbenzoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C21H21FN2O2S MolecularWeight: 384.467043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O2S/c1-14-18(27-17-8-6-5-7-9-17)19(24(23-14)21(2,3)4)26-20(25)15-10-12-16(22)13-11-15/h5-13H,1-4H3