3-(4-bromophenyl)-7-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-(2-ethylpiperidin-1-yl)-5-phenyl-1-sulfanylidene-pyrazolo[4,3-c][1,5,2]oxazaphosphinine

Systemtic Name: 3-(4-bromophenyl)-7-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-(2-ethylpiperidin-1-yl)-5-phenyl-1-sulfanylidene-pyrazolo[4,3-c][1,5,2]oxazaphosphinine Openeye Name: 3-(4-bromophenyl)-7-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-(2-ethyl-1-piperidyl)-5-phenyl-1-thioxo-pyrazolo[4,3-c][1,5,2]oxazaphosphinine CAS Name: 3-(4-bromophenyl)-7-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-3-pyrrolyl]-1-(2-ethyl-1-piperidinyl)-5-phenyl-1-sulfanylidenepyrazolo[4,3-c][1,5,2]oxazaphosphorine IUPAC Name: 3-(4-bromophenyl)-7-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-(2-ethylpiperidin-1-yl)-5-phenyl-1-sulfanylidenepyrazolo[4,3-c][1,5,2]oxazaphosphinine Traditional Name: 3-(4-bromophenyl)-7-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-(2-ethylpiperidino)-5-phenyl-1-thioxo-pyrazolo[4,3-c][1,5,2]oxazaphosphorine Formula: C36H34BrF3N5OPS MolecularWeight: 752.626031

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1P2(=S)C3=C(N=C(O2)C4=CC=C(C=C4)Br)N(N=C3C5=C(N(C(=C5)C)C6=CC=CC(=C6)C(F)(F)F)C)C7=CC=CC=C7

Isomeric SMILES

CCC1CCCCN1P2(=S)C3=C(N=C(O2)C4=CC=C(C=C4)Br)N(N=C3C5=C(N(C(=C5)C)C6=CC=CC(=C6)C(F)(F)F)C)C7=CC=CC=C7

InChI

InChI=1S/C36H34BrF3N5OPS/c1-4-28-12-8-9-20-43(28)47(48)33-32(31-21-23(2)44(24(31)3)30-15-10-11-26(22-30)36(38,39)40)42-45(29-13-6-5-7-14-29)34(33)41-35(46-47)25-16-18-27(37)19-17-25/h5-7,10-11,13-19,21-22,28H,4,8-9,12,20H2,1-3H3