1-butyl-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C18H24N6O2S2 MolecularWeight: 420.55216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3C4CC4)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3C4CC4)C

InChI

InChI=1S/C18H24N6O2S2/c1-3-4-9-23-16-8-7-14(28(19,25)26)10-15(16)20-17(23)11-27-18-22-21-12(2)24(18)13-5-6-13/h7-8,10,13H,3-6,9,11H2,1-2H3,(H2,19,25,26)