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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3,4-diethoxybenzoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3)OCC

InChI

InChI=1S/C25H30N2O4S/c1-7-29-20-15-14-18(16-21(20)30-8-2)24(28)31-23-22(32-19-12-10-9-11-13-19)17(3)26-27(23)25(4,5)6/h9-16H,7-8H2,1-6H3