1-[1-(4-bromophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-butan-1-one

Systemtic Name: 1-[1-(4-bromophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-butan-1-one Openeye Name: 1-[1-(4-bromophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-butan-1-one CAS Name: 1-[1-(4-bromophenyl)-5-[4-(methylthio)phenyl]-3-pyrazolyl]-4-[tert-butyl(dimethyl)silyl]oxy-1-butanone IUPAC Name: 1-[1-(4-bromophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-4-[tert-butyl(dimethyl)silyl]oxybutan-1-one Traditional Name: 1-[1-(4-bromophenyl)-5-[4-(methylthio)phenyl]pyrazol-3-yl]-4-[tert-butyl(dimethyl)silyl]oxy-butan-1-one Formula: C26H33BrN2O2SSi MolecularWeight: 545.60692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[Si](C)(C)OCCCC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)[Si](C)(C)OCCCC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C26H33BrN2O2SSi/c1-26(2,3)33(5,6)31-17-7-8-25(30)23-18-24(19-9-15-22(32-4)16-10-19)29(28-23)21-13-11-20(27)12-14-21/h9-16,18H,7-8,17H2,1-6H3