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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-5-nitro-1H-benzimidazol-2-one Openeye Name: 3-[(1,1-dioxothiolan-3-yl)methyl]-5-nitro-1H-benzimidazol-2-one CAS Name: 3-[(1,1-dioxo-3-thiolanyl)methyl]-5-nitro-1H-benzimidazol-2-one IUPAC Name: 3-[(1,1-dioxothiolan-3-yl)methyl]-5-nitro-1H-benzimidazol-2-one Traditional Name: 3-[(1,1-diketothiolan-3-yl)methyl]-5-nitro-1H-benzimidazol-2-one Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5S/c16-12-13-10-2-1-9(15(17)18)5-11(10)14(12)6-8-3-4-21(19,20)7-8/h1-2,5,8H,3-4,6-7H2,(H,13,16)