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

Systemtic Name: [2-[3-(4-dimethylaminophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] morpholine-4-carbodithioate Openeye Name: [2-[3-(4-dimethylaminophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] morpholine-4-carbodithioate CAS Name: 4-morpholinecarbodithioic acid [2-[3-(4-dimethylaminophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(4-dimethylaminophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] morpholine-4-carbodithioate Traditional Name: morpholine-4-carbodithioic acid [2-[5-(4-dimethylaminophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C22H26N4O2S3 MolecularWeight: 474.66244

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2CC(=NN2C(=O)CSC(=S)N3CCOCC3)C4=CC=CS4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2CC(=NN2C(=O)CSC(=S)N3CCOCC3)C4=CC=CS4

InChI

InChI=1S/C22H26N4O2S3/c1-24(2)17-7-5-16(6-8-17)19-14-18(20-4-3-13-30-20)23-26(19)21(27)15-31-22(29)25-9-11-28-12-10-25/h3-8,13,19H,9-12,14-15H2,1-2H3