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

Systemtic Name: 2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C18H18N6O3S2 MolecularWeight: 430.50392

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H18N6O3S2/c1-2-9-23-16-8-7-12(29(19,26)27)10-15(16)20-18(23)28-11-24-17(25)13-5-3-4-6-14(13)21-22-24/h3-8,10H,2,9,11H2,1H3,(H2,19,26,27)