[2-[3-(4-dimethylaminophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[3-(4-dimethylaminophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[3-(4-dimethylaminophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic 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] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-[5-(4-dimethylaminophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C22H26N4OS3 MolecularWeight: 458.66304

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2CC(=NN2C(=O)CSC(=S)N3CCCC3)C4=CC=CS4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2CC(=NN2C(=O)CSC(=S)N3CCCC3)C4=CC=CS4

InChI

InChI=1S/C22H26N4OS3/c1-24(2)17-9-7-16(8-10-17)19-14-18(20-6-5-13-29-20)23-26(19)21(27)15-30-22(28)25-11-3-4-12-25/h5-10,13,19H,3-4,11-12,14-15H2,1-2H3