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

Systemtic Name: N,N-dimethyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: N,N-dimethyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: N,N-dimethyl-2-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: N,N-dimethyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: N,N-dimethyl-2-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1-propyl-benzimidazole-5-sulfonamide Formula: C21H24N6O2S2 MolecularWeight: 456.58426

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NN(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N6O2S2/c1-4-12-26-19-11-10-17(31(28,29)25(2)3)13-18(19)23-20(26)14-30-21-22-15-27(24-21)16-8-6-5-7-9-16/h5-11,13,15H,4,12,14H2,1-3H3