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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O4S2/c1-12(4-5-21(18,19)7-12)14-10-6-8(15(16)17)2-3-9(10)13-11(14)20/h2-3,6H,4-5,7H2,1H3,(H,13,20)