[5-(4-bromophenyl)sulfanyl-1-methyl-3-phenyl-pyrazol-4-yl]methyl 3-chloranylbenzoate

Systemtic Name: [5-(4-bromophenyl)sulfanyl-1-methyl-3-phenyl-pyrazol-4-yl]methyl 3-chloranylbenzoate Openeye Name: [5-(4-bromophenyl)sulfanyl-1-methyl-3-phenyl-pyrazol-4-yl]methyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [5-[(4-bromophenyl)thio]-1-methyl-3-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [5-(4-bromophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [5-[(4-bromophenyl)thio]-1-methyl-3-phenyl-pyrazol-4-yl]methyl ester Formula: C24H18BrClN2O2S MolecularWeight: 513.83392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)COC(=O)C3=CC(=CC=C3)Cl)SC4=CC=C(C=C4)Br

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)COC(=O)C3=CC(=CC=C3)Cl)SC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H18BrClN2O2S/c1-28-23(31-20-12-10-18(25)11-13-20)21(22(27-28)16-6-3-2-4-7-16)15-30-24(29)17-8-5-9-19(26)14-17/h2-14H,15H2,1H3