[2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-[[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl] ester Formula: C20H21FN4OS2 MolecularWeight: 416.535343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC(=S)N2CCCC2)C3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC(=S)N2CCCC2)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C20H21FN4OS2/c1-13-14(2)25(16-7-5-6-15(21)10-16)19(17(13)11-22)23-18(26)12-28-20(27)24-8-3-4-9-24/h5-7,10H,3-4,8-9,12H2,1-2H3,(H,23,26)