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

Systemtic Name: 1-butyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C21H29N7O2S2 MolecularWeight: 475.63066

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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)N5CCCC5

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3C4CC4)N5CCCC5

InChI

InChI=1S/C21H29N7O2S2/c1-2-3-12-27-18-9-8-16(32(22,29)30)13-17(18)23-19(27)14-31-21-25-24-20(26-10-4-5-11-26)28(21)15-6-7-15/h8-9,13,15H,2-7,10-12,14H2,1H3,(H2,22,29,30)