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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3-methoxybenzoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 3-methoxybenzoate Traditional Name: 3-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=C3)OC)C(C)(C)C

Isomeric SMILES

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

InChI

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