4-[5-(1,3-benzothiazol-2-ylsulfanyl)-1,2,3,4-tetrazol-1-yl]-N-phenyl-benzenesulfonamide

Systemtic Name: 4-[5-(1,3-benzothiazol-2-ylsulfanyl)-1,2,3,4-tetrazol-1-yl]-N-phenyl-benzenesulfonamide Openeye Name: 4-[5-(1,3-benzothiazol-2-ylsulfanyl)tetrazol-1-yl]-N-phenyl-benzenesulfonamide CAS Name: 4-[5-(1,3-benzothiazol-2-ylthio)-1-tetrazolyl]-N-phenylbenzenesulfonamide IUPAC Name: 4-[5-(1,3-benzothiazol-2-ylsulfanyl)tetrazol-1-yl]-N-phenylbenzenesulfonamide Traditional Name: 4-[5-(1,3-benzothiazol-2-ylthio)tetrazol-1-yl]-N-phenyl-benzenesulfonamide Formula: C20H14N6O2S3 MolecularWeight: 466.55916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=NN=N3)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=NN=N3)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H14N6O2S3/c27-31(28,23-14-6-2-1-3-7-14)16-12-10-15(11-13-16)26-19(22-24-25-26)30-20-21-17-8-4-5-9-18(17)29-20/h1-13,23H