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

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C14H18N6O2S3 MolecularWeight: 398.52672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(S3)N

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(S3)N

InChI

InChI=1S/C14H18N6O2S3/c1-2-3-6-20-11-5-4-9(25(16,21)22)7-10(11)17-12(20)8-23-14-19-18-13(15)24-14/h4-5,7H,2-3,6,8H2,1H3,(H2,15,18)(H2,16,21,22)