(4-methyl-2,6-dinitro-phenyl) N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-carbamodithioate

Systemtic Name: (4-methyl-2,6-dinitro-phenyl) N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-carbamodithioate Openeye Name: (4-methyl-2,6-dinitro-phenyl) N-(1,1-dioxothiolan-3-yl)-N-methyl-carbamodithioate CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-methylcarbamodithioic acid (4-methyl-2,6-dinitrophenyl) ester IUPAC Name: (4-methyl-2,6-dinitrophenyl) N-(1,1-dioxothiolan-3-yl)-N-methylcarbamodithioate Traditional Name: N-(1,1-diketothiolan-3-yl)-N-methyl-carbamodithioic acid (4-methyl-2,6-dinitro-phenyl) ester Formula: C13H15N3O6S3 MolecularWeight: 405.4697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])SC(=S)N(C)C2CCS(=O)(=O)C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])SC(=S)N(C)C2CCS(=O)(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O6S3/c1-8-5-10(15(17)18)12(11(6-8)16(19)20)24-13(23)14(2)9-3-4-25(21,22)7-9/h5-6,9H,3-4,7H2,1-2H3