[2-oxidanylidene-2-[2-oxidanylidene-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-oxidanylidene-2-[2-oxidanylidene-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl] ester IUPAC Name: [2-oxo-2-[2-oxo-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-keto-2-[2-keto-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl] ester Formula: C17H18F3N3O2S2 MolecularWeight: 417.46893

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O2S2/c18-17(19,20)13-9-14(24)21-11-5-1-2-6-12(11)23(13)15(25)10-27-16(26)22-7-3-4-8-22/h1-2,5-6,13H,3-4,7-10H2,(H,21,24)