5-bromanyl-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]thiophene-2-sulfonamide

Systemtic Name: 5-bromanyl-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]thiophene-2-sulfonamide Openeye Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-5-bromo-thiophene-2-sulfonamide CAS Name: 5-bromo-N-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]-2-thiophenesulfonamide IUPAC Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-5-bromothiophene-2-sulfonamide Traditional Name: N-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]-5-bromo-thiophene-2-sulfonamide Formula: C13H11BrN4O2S3 MolecularWeight: 431.35104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=N2)NS(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=N2)NS(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C13H11BrN4O2S3/c14-10-6-7-11(22-10)23(19,20)18-12-15-13(17-16-12)21-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,16,17,18)