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

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C18H21N7O2S3 MolecularWeight: 463.60004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3N)C4=CC=CS4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3N)C4=CC=CS4

InChI

InChI=1S/C18H21N7O2S3/c1-2-3-8-24-14-7-6-12(30(20,26)27)10-13(14)21-16(24)11-29-18-23-22-17(25(18)19)15-5-4-9-28-15/h4-7,9-10H,2-3,8,11,19H2,1H3,(H2,20,26,27)