[4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 3,4-diethoxybenzoate

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 3,4-diethoxybenzoate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C27H25ClN2O4S MolecularWeight: 509.0164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=C(C=C4)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=C(C=C4)Cl)OCC

InChI

InChI=1S/C27H25ClN2O4S/c1-4-32-23-16-11-19(17-24(23)33-5-2)27(31)34-26-25(35-22-14-12-20(28)13-15-22)18(3)29-30(26)21-9-7-6-8-10-21/h6-17H,4-5H2,1-3H3