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

Systemtic Name: [2-oxidanylidene-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethyl] piperidine-1-carbodithioate Openeye Name: [2-oxo-2-[3-phenyl-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethyl] piperidine-1-carbodithioate CAS Name: 1-piperidinecarbodithioic acid [2-oxo-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)ethyl] piperidine-1-carbodithioate Traditional Name: piperidine-1-carbodithioic acid [2-keto-2-[5-phenyl-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl] ester Formula: C21H23N3OS3 MolecularWeight: 429.62182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS3/c25-20(15-28-21(26)23-11-5-2-6-12-23)24-18(16-8-3-1-4-9-16)14-17(22-24)19-10-7-13-27-19/h1,3-4,7-10,13,18H,2,5-6,11-12,14-15H2