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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)N2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O

Isomeric SMILES

CC1(CCS(=O)(=O)C1)N2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O

InChI

InChI=1S/C12H13N3O5S/c1-12(4-5-21(19,20)7-12)14-10-6-8(15(17)18)2-3-9(10)13-11(14)16/h2-3,6H,4-5,7H2,1H3,(H,13,16)