2-[3-(4-bromophenyl)-7-methyl-1-morpholin-4-yl-1-sulfanylidene-pyrazolo[4,3-c][1,5,2]oxazaphosphinin-5-yl]ethyl 4-bromanylbenzoate

Systemtic Name: 2-[3-(4-bromophenyl)-7-methyl-1-morpholin-4-yl-1-sulfanylidene-pyrazolo[4,3-c][1,5,2]oxazaphosphinin-5-yl]ethyl 4-bromanylbenzoate Openeye Name: 2-[3-(4-bromophenyl)-7-methyl-1-morpholino-1-thioxo-pyrazolo[4,3-c][1,5,2]oxazaphosphinin-5-yl]ethyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 2-[3-(4-bromophenyl)-7-methyl-1-(4-morpholinyl)-1-sulfanylidene-5-pyrazolo[4,3-c][1,5,2]oxazaphosphorinyl]ethyl ester IUPAC Name: 2-[3-(4-bromophenyl)-7-methyl-1-morpholin-4-yl-1-sulfanylidenepyrazolo[4,3-c][1,5,2]oxazaphosphinin-5-yl]ethyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 2-[3-(4-bromophenyl)-7-methyl-1-morpholino-1-thioxo-pyrazolo[4,3-c][1,5,2]oxazaphosphorin-5-yl]ethyl ester Formula: C24H23Br2N4O4PS MolecularWeight: 654.310581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1P(=S)(OC(=N2)C3=CC=C(C=C3)Br)N4CCOCC4)CCOC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=NN(C2=C1P(=S)(OC(=N2)C3=CC=C(C=C3)Br)N4CCOCC4)CCOC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C24H23Br2N4O4PS/c1-16-21-22(30(28-16)12-15-33-24(31)18-4-8-20(26)9-5-18)27-23(17-2-6-19(25)7-3-17)34-35(21,36)29-10-13-32-14-11-29/h2-9H,10-15H2,1H3