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

Systemtic Name: N,N-dimethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: N,N-dimethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: N,N-dimethyl-2-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: N,N-dimethyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: N,N-dimethyl-2-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-propyl-benzimidazole-5-sulfonamide Formula: C16H22N6O2S2 MolecularWeight: 394.51488

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NNC(=N3)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NNC(=N3)C

InChI

InChI=1S/C16H22N6O2S2/c1-5-8-22-14-7-6-12(26(23,24)21(3)4)9-13(14)18-15(22)10-25-16-17-11(2)19-20-16/h6-7,9H,5,8,10H2,1-4H3,(H,17,19,20)