[2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 4-ethoxybenzoate

Systemtic Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 4-ethoxybenzoate Openeye Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methylpyrazol-3-yl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-pyrazol-3-yl] ester Formula: C23H25ClN2O3S MolecularWeight: 444.9742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2O3S/c1-6-28-18-11-7-16(8-12-18)22(27)29-21-20(15(2)25-26(21)23(3,4)5)30-19-13-9-17(24)10-14-19/h7-14H,6H2,1-5H3