N-[1,1-bis(oxidanylidene)thian-4-yl]-4-nitro-1,3-benzothiazol-5-amine

Systemtic Name: N-[1,1-bis(oxidanylidene)thian-4-yl]-4-nitro-1,3-benzothiazol-5-amine Openeye Name: N-(1,1-dioxothian-4-yl)-4-nitro-1,3-benzothiazol-5-amine CAS Name: N-(1,1-dioxo-4-thianyl)-4-nitro-1,3-benzothiazol-5-amine IUPAC Name: N-(1,1-dioxothian-4-yl)-4-nitro-1,3-benzothiazol-5-amine Traditional Name: (1,1-diketothian-4-yl)-(4-nitro-1,3-benzothiazol-5-yl)amine Formula: C12H13N3O4S2 MolecularWeight: 327.37932

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NC2=C(C3=C(C=C2)SC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CCC1NC2=C(C3=C(C=C2)SC=N3)[N+](=O)[O-]

InChI

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