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

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 3,4-dimethoxybenzoate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic 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-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C25H21ClN2O4S MolecularWeight: 480.96324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H21ClN2O4S/c1-16-23(33-20-12-10-18(26)11-13-20)24(28(27-16)19-7-5-4-6-8-19)32-25(29)17-9-14-21(30-2)22(15-17)31-3/h4-15H,1-3H3