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

Systemtic Name: 1-butyl-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 2-[(4-allyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 2-[[(4-allyl-1,2,4-triazol-3-yl)thio]methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C17H22N6O2S2 MolecularWeight: 406.52558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=CN3CC=C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=CN3CC=C

InChI

InChI=1S/C17H22N6O2S2/c1-3-5-9-23-15-7-6-13(27(18,24)25)10-14(15)20-16(23)11-26-17-21-19-12-22(17)8-4-2/h4,6-7,10,12H,2-3,5,8-9,11H2,1H3,(H2,18,24,25)