4-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1,2,3,4-tetrazol-1-yl]-N-phenyl-benzenesulfonamide

Systemtic Name: 4-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1,2,3,4-tetrazol-1-yl]-N-phenyl-benzenesulfonamide Openeye Name: 4-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenyl-benzenesulfonamide CAS Name: 4-[5-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-tetrazolyl]-N-phenylbenzenesulfonamide IUPAC Name: 4-[5-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide Traditional Name: 4-[5-[(6-nitro-1,3-benzothiazol-2-yl)thio]tetrazol-1-yl]-N-phenyl-benzenesulfonamide Formula: C20H13N7O4S3 MolecularWeight: 511.55672

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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=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(=NN=N3)SC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H13N7O4S3/c28-27(29)15-8-11-17-18(12-15)32-20(21-17)33-19-22-24-25-26(19)14-6-9-16(10-7-14)34(30,31)23-13-4-2-1-3-5-13/h1-12,23H