N,N,1-triethyl-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: N,N,1-triethyl-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: N,N,1-triethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: N,N,1-triethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: N,N,1-triethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: N,N,1-triethyl-2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]benzimidazole-5-sulfonamide Formula: C21H24N6O3S2 MolecularWeight: 472.58366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H24N6O3S2/c1-4-25(5-2)32(29,30)15-11-12-19-18(13-15)22-21(26(19)6-3)31-14-27-20(28)16-9-7-8-10-17(16)23-24-27/h7-13H,4-6,14H2,1-3H3