2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]-N,N-dimethyl-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Formula: C19H28N6O3S2 MolecularWeight: 452.59402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=NC3=C(N2CCC)C=CC(=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=NC3=C(N2CCC)C=CC(=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C19H28N6O3S2/c1-5-7-11-25-18(26)21-22-19(25)29-13-17-20-15-12-14(30(27,28)23(3)4)8-9-16(15)24(17)10-6-2/h8-9,12H,5-7,10-11,13H2,1-4H3,(H,21,26)