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

Systemtic Name: 4-methyl-N-[2-oxidanylidene-7-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-benzoxathiol-5-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-oxo-7-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-benzoxathiol-5-yl]benzenesulfonamide CAS Name: 4-methyl-N-[2-oxo-7-(1H-1,2,4-triazol-5-ylthio)-1,3-benzoxathiol-5-yl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-oxo-7-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-benzoxathiol-5-yl]benzenesulfonamide Traditional Name: N-[2-keto-7-(1H-1,2,4-triazol-5-ylthio)-1,3-benzoxathiol-5-yl]-4-methyl-benzenesulfonamide Formula: C16H12N4O4S3 MolecularWeight: 420.48588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C(=C2)SC4=NC=NN4)OC(=O)S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C(=C2)SC4=NC=NN4)OC(=O)S3

InChI

InChI=1S/C16H12N4O4S3/c1-9-2-4-11(5-3-9)27(22,23)20-10-6-12(25-15-17-8-18-19-15)14-13(7-10)26-16(21)24-14/h2-8,20H,1H3,(H,17,18,19)