3-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-5-nitro-1H-benzimidazole-2-thione

Systemtic Name: 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-5-nitro-1H-benzimidazole-2-thione Openeye Name: 3-[(1,1-dioxothiolan-3-yl)methyl]-5-nitro-1H-benzimidazole-2-thione CAS Name: 3-[(1,1-dioxo-3-thiolanyl)methyl]-5-nitro-1H-benzimidazole-2-thione IUPAC Name: 3-[(1,1-dioxothiolan-3-yl)methyl]-5-nitro-1H-benzimidazole-2-thione Traditional Name: 3-[(1,1-diketothiolan-3-yl)methyl]-5-nitro-1H-benzimidazole-2-thione Formula: C12H13N3O4S2 MolecularWeight: 327.37932

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1CN2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=S

Isomeric SMILES

C1CS(=O)(=O)CC1CN2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=S

InChI

InChI=1S/C12H13N3O4S2/c16-15(17)9-1-2-10-11(5-9)14(12(20)13-10)6-8-3-4-21(18,19)7-8/h1-2,5,8H,3-4,6-7H2,(H,13,20)