4-ethoxy-N-[2-oxidanylidene-7-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-benzoxathiol-5-yl]benzenesulfonamide

Systemtic Name: 4-ethoxy-N-[2-oxidanylidene-7-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-benzoxathiol-5-yl]benzenesulfonamide Openeye Name: 4-ethoxy-N-[2-oxo-7-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-benzoxathiol-5-yl]benzenesulfonamide CAS Name: 4-ethoxy-N-[2-oxo-7-(1H-1,2,4-triazol-5-ylthio)-1,3-benzoxathiol-5-yl]benzenesulfonamide IUPAC Name: 4-ethoxy-N-[2-oxo-7-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-benzoxathiol-5-yl]benzenesulfonamide Traditional Name: 4-ethoxy-N-[2-keto-7-(1H-1,2,4-triazol-5-ylthio)-1,3-benzoxathiol-5-yl]benzenesulfonamide Formula: C17H14N4O5S3 MolecularWeight: 450.51186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C(=C2)SC4=NC=NN4)OC(=O)S3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C(=C2)SC4=NC=NN4)OC(=O)S3

InChI

InChI=1S/C17H14N4O5S3/c1-2-25-11-3-5-12(6-4-11)29(23,24)21-10-7-13(27-16-18-9-19-20-16)15-14(8-10)28-17(22)26-15/h3-9,21H,2H2,1H3,(H,18,19,20)