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

Systemtic Name: [2-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] piperidine-1-carbodithioate Openeye Name: [2-[3-(4-chlorophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] piperidine-1-carbodithioate CAS Name: 1-piperidinecarbodithioic acid [2-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(4-chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] piperidine-1-carbodithioate Traditional Name: piperidine-1-carbodithioic acid [2-[5-(4-chlorophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C21H22ClN3OS3 MolecularWeight: 464.06688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)SCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)C(=S)SCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3OS3/c22-16-8-6-15(7-9-16)18-13-17(19-5-4-12-28-19)23-25(18)20(26)14-29-21(27)24-10-2-1-3-11-24/h4-9,12,18H,1-3,10-11,13-14H2