4-(hydroxymethyl)-8-methyl-6-phenyl-2,3-dithia-6,8-diazabicyclo[2.2.2]octane-5,7-dione

Systemtic Name: 4-(hydroxymethyl)-8-methyl-6-phenyl-2,3-dithia-6,8-diazabicyclo[2.2.2]octane-5,7-dione Openeye Name: 4-(hydroxymethyl)-8-methyl-6-phenyl-2,3-dithia-6,8-diazabicyclo[2.2.2]octane-5,7-dione CAS Name: 4-(hydroxymethyl)-8-methyl-6-phenyl-2,3-dithia-6,8-diazabicyclo[2.2.2]octane-5,7-dione IUPAC Name: 4-(hydroxymethyl)-8-methyl-6-phenyl-2,3-dithia-6,8-diazabicyclo[2.2.2]octane-5,7-dione Traditional Name: 8-methyl-4-methylol-6-phenyl-2,3-dithia-6,8-diazabicyclo[2.2.2]octane-5,7-quinone Formula: C12H12N2O3S2 MolecularWeight: 296.36528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2N(C(=O)C1(SS2)CO)C3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2N(C(=O)C1(SS2)CO)C3=CC=CC=C3

InChI

InChI=1S/C12H12N2O3S2/c1-13-9(16)10-14(8-5-3-2-4-6-8)11(17)12(13,7-15)19-18-10/h2-6,10,15H,7H2,1H3