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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-methoxybenzoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3OC)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3=CC=CC=C3OC)C(C)(C)C

InChI

InChI=1S/C22H24N2O3S/c1-15-19(28-16-11-7-6-8-12-16)20(24(23-15)22(2,3)4)27-21(25)17-13-9-10-14-18(17)26-5/h6-14H,1-5H3