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

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 4-ethoxybenzoate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C25H21ClN2O3S MolecularWeight: 464.96384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN2O3S/c1-3-30-21-13-9-18(10-14-21)25(29)31-24-23(32-22-15-11-19(26)12-16-22)17(2)27-28(24)20-7-5-4-6-8-20/h4-16H,3H2,1-2H3