N-(2-tert-butylsulfanylethyl)-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-(2-tert-butylsulfanylethyl)-6-nitro-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-(2-tert-butylsulfanylethyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-[2-(tert-butylthio)ethyl]-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-(2-tert-butylsulfanylethyl)-6-nitro-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: 2-(tert-butylthio)ethyl-(1,1-diketo-6-nitro-1,2-benzothiazol-3-yl)amine Formula: C13H17N3O4S2 MolecularWeight: 343.42178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC1=NS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)SCCNC1=NS(=O)(=O)C2=C1C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4S2/c1-13(2,3)21-7-6-14-12-10-5-4-9(16(17)18)8-11(10)22(19,20)15-12/h4-5,8H,6-7H2,1-3H3,(H,14,15)