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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3,4-dimethylbenzoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3)C

InChI

InChI=1S/C23H26N2O2S/c1-15-12-13-18(14-16(15)2)22(26)27-21-20(28-19-10-8-7-9-11-19)17(3)24-25(21)23(4,5)6/h7-14H,1-6H3