N-[4-oxidanyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butane-1-sulfonamide

Systemtic Name: N-[4-oxidanyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butane-1-sulfonamide Openeye Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butane-1-sulfonamide CAS Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylthio)phenyl]-1-butanesulfonamide IUPAC Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butane-1-sulfonamide Traditional Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylthio)phenyl]butane-1-sulfonamide Formula: C12H16N4O3S2 MolecularWeight: 328.41044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC(=C(C=C1)O)SC2=NC=NN2

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC(=C(C=C1)O)SC2=NC=NN2

InChI

InChI=1S/C12H16N4O3S2/c1-2-3-6-21(18,19)16-9-4-5-10(17)11(7-9)20-12-13-8-14-15-12/h4-5,7-8,16-17H,2-3,6H2,1H3,(H,13,14,15)