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

Systemtic Name: [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic 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] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-(3,5-diphenyl-2-pyrazolin-1-yl)-2-keto-ethyl] ester Formula: C22H23N3OS2 MolecularWeight: 409.56752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS2/c26-21(16-28-22(27)24-13-7-8-14-24)25-20(18-11-5-2-6-12-18)15-19(23-25)17-9-3-1-4-10-17/h1-6,9-12,20H,7-8,13-16H2