[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-[4-(3-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C17H22FN3O3S3 MolecularWeight: 431.568283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C17H22FN3O3S3/c18-14-4-3-5-15(12-14)27(23,24)21-10-8-19(9-11-21)16(22)13-26-17(25)20-6-1-2-7-20/h3-5,12H,1-2,6-11,13H2