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

Systemtic Name: 1-butyl-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]benzimidazole-5-sulfonamide Formula: C19H20N6O3S2 MolecularWeight: 444.5305

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H20N6O3S2/c1-2-3-10-24-17-9-8-13(30(20,27)28)11-16(17)21-19(24)29-12-25-18(26)14-6-4-5-7-15(14)22-23-25/h4-9,11H,2-3,10,12H2,1H3,(H2,20,27,28)