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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-butoxybenzoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O3S/c1-6-7-17-29-20-15-13-19(14-16-20)24(28)30-23-22(31-21-11-9-8-10-12-21)18(2)26-27(23)25(3,4)5/h8-16H,6-7,17H2,1-5H3