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

Systemtic Name: [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] piperidine-1-carbodithioate Openeye Name: [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-oxo-ethyl] piperidine-1-carbodithioate CAS Name: 1-piperidinecarbodithioic acid [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] piperidine-1-carbodithioate Traditional Name: piperidine-1-carbodithioic acid [2-(3,5-diphenyl-2-pyrazolin-1-yl)-2-keto-ethyl] ester Formula: C23H25N3OS2 MolecularWeight: 423.5941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3OS2/c27-22(17-29-23(28)25-14-8-3-9-15-25)26-21(19-12-6-2-7-13-19)16-20(24-26)18-10-4-1-5-11-18/h1-2,4-7,10-13,21H,3,8-9,14-17H2