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

Systemtic Name: [2-[3-(4-dimethylaminophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] piperidine-1-carbodithioate Openeye Name: [2-[3-(4-dimethylaminophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] piperidine-1-carbodithioate CAS Name: 1-piperidinecarbodithioic 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] piperidine-1-carbodithioate Traditional Name: piperidine-1-carbodithioic acid [2-[5-(4-dimethylaminophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C23H28N4OS3 MolecularWeight: 472.68962

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2CC(=NN2C(=O)CSC(=S)N3CCCCC3)C4=CC=CS4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2CC(=NN2C(=O)CSC(=S)N3CCCCC3)C4=CC=CS4

InChI

InChI=1S/C23H28N4OS3/c1-25(2)18-10-8-17(9-11-18)20-15-19(21-7-6-14-30-21)24-27(20)22(28)16-31-23(29)26-12-4-3-5-13-26/h6-11,14,20H,3-5,12-13,15-16H2,1-2H3