[4-(4-bromophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]methyl 2-bromanylbenzoate

Systemtic Name: [4-(4-bromophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]methyl 2-bromanylbenzoate Openeye Name: [4-(4-bromophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]methyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[(4-bromophenyl)thio]-3,5-dimethyl-1-pyrazolyl]methyl ester IUPAC Name: [4-(4-bromophenyl)sulfanyl-3,5-dimethylpyrazol-1-yl]methyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[(4-bromophenyl)thio]-3,5-dimethyl-pyrazol-1-yl]methyl ester Formula: C19H16Br2N2O2S MolecularWeight: 496.21554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1COC(=O)C2=CC=CC=C2Br)C)SC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NN1COC(=O)C2=CC=CC=C2Br)C)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H16Br2N2O2S/c1-12-18(26-15-9-7-14(20)8-10-15)13(2)23(22-12)11-25-19(24)16-5-3-4-6-17(16)21/h3-10H,11H2,1-2H3