N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-methyl-6-nitro-1,3-benzothiazol-5-amine

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-methyl-6-nitro-1,3-benzothiazol-5-amine Openeye Name: N-(1,1-dioxothiolan-3-yl)-2-methyl-6-nitro-1,3-benzothiazol-5-amine CAS Name: N-(1,1-dioxo-3-thiolanyl)-2-methyl-6-nitro-1,3-benzothiazol-5-amine IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-methyl-6-nitro-1,3-benzothiazol-5-amine Traditional Name: (1,1-diketothiolan-3-yl)-(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amine Formula: C12H13N3O4S2 MolecularWeight: 327.37932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])NC3CCS(=O)(=O)C3

Isomeric SMILES

CC1=NC2=CC(=C(C=C2S1)[N+](=O)[O-])NC3CCS(=O)(=O)C3

InChI

InChI=1S/C12H13N3O4S2/c1-7-13-10-4-9(11(15(16)17)5-12(10)20-7)14-8-2-3-21(18,19)6-8/h4-5,8,14H,2-3,6H2,1H3