[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] morpholine-4-carbodithioate

Systemtic Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] morpholine-4-carbodithioate Openeye Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] morpholine-4-carbodithioate CAS Name: 4-morpholinecarbodithioic acid [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] morpholine-4-carbodithioate Traditional Name: morpholine-4-carbodithioic acid [2-keto-2-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC(=S)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC(=S)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S2/c1-28-19-9-7-18(8-10-19)21-15-20(17-5-3-2-4-6-17)24-26(21)22(27)16-31-23(30)25-11-13-29-14-12-25/h2-10,21H,11-16H2,1H3