(2,4-dinitrophenyl) N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-carbamodithioate

Systemtic Name: (2,4-dinitrophenyl) N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-carbamodithioate Openeye Name: (2,4-dinitrophenyl) N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-carbamodithioate CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-methylcarbamodithioic acid (2,4-dinitrophenyl) ester IUPAC Name: (2,4-dinitrophenyl) N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylcarbamodithioate Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-methyl-carbamodithioic acid (2,4-dinitrophenyl) ester Formula: C12H13N3O6S3 MolecularWeight: 391.44312

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=S)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=S)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O6S3/c1-13(9-4-5-24(20,21)7-9)12(22)23-11-3-2-8(14(16)17)6-10(11)15(18)19/h2-3,6,9H,4-5,7H2,1H3/t9-/m0/s1