2-[3-(4-iodophenyl)-7-methyl-1-pyrrolidin-1-yl-1-sulfanylidene-pyrazolo[4,3-c][1,5,2]oxazaphosphinin-5-yl]ethyl 4-iodanylbenzoate

Systemtic Name: 2-[3-(4-iodophenyl)-7-methyl-1-pyrrolidin-1-yl-1-sulfanylidene-pyrazolo[4,3-c][1,5,2]oxazaphosphinin-5-yl]ethyl 4-iodanylbenzoate Openeye Name: 2-[3-(4-iodophenyl)-7-methyl-1-pyrrolidin-1-yl-1-thioxo-pyrazolo[4,3-c][1,5,2]oxazaphosphinin-5-yl]ethyl 4-iodobenzoate CAS Name: 4-iodobenzoic acid 2-[3-(4-iodophenyl)-7-methyl-1-(1-pyrrolidinyl)-1-sulfanylidene-5-pyrazolo[4,3-c][1,5,2]oxazaphosphorinyl]ethyl ester IUPAC Name: 2-[3-(4-iodophenyl)-7-methyl-1-pyrrolidin-1-yl-1-sulfanylidenepyrazolo[4,3-c][1,5,2]oxazaphosphinin-5-yl]ethyl 4-iodobenzoate Traditional Name: 4-iodobenzoic acid 2-[3-(4-iodophenyl)-7-methyl-1-pyrrolidino-1-thioxo-pyrazolo[4,3-c][1,5,2]oxazaphosphorin-5-yl]ethyl ester Formula: C24H23I2N4O3PS MolecularWeight: 732.312121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1P(=S)(OC(=N2)C3=CC=C(C=C3)I)N4CCCC4)CCOC(=O)C5=CC=C(C=C5)I

Isomeric SMILES

CC1=NN(C2=C1P(=S)(OC(=N2)C3=CC=C(C=C3)I)N4CCCC4)CCOC(=O)C5=CC=C(C=C5)I

InChI

InChI=1S/C24H23I2N4O3PS/c1-16-21-22(30(28-16)14-15-32-24(31)18-6-10-20(26)11-7-18)27-23(17-4-8-19(25)9-5-17)33-34(21,35)29-12-2-3-13-29/h4-11H,2-3,12-15H2,1H3