4-[3,5-bis(oxidanylidene)-1,2,4-triazol-4-yl]-N-pyren-1-yl-benzenesulfonamide

Systemtic Name: 4-[3,5-bis(oxidanylidene)-1,2,4-triazol-4-yl]-N-pyren-1-yl-benzenesulfonamide Openeye Name: 4-(3,5-dioxo-1,2,4-triazol-4-yl)-N-pyren-1-yl-benzenesulfonamide CAS Name: 4-(3,5-dioxo-1,2,4-triazol-4-yl)-N-(1-pyrenyl)benzenesulfonamide IUPAC Name: 4-(3,5-dioxo-1,2,4-triazol-4-yl)-N-pyren-1-ylbenzenesulfonamide Traditional Name: 4-(3,5-diketo-1,2,4-triazol-4-yl)-N-pyren-1-yl-benzenesulfonamide Formula: C24H14N4O4S MolecularWeight: 454.45736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)NS(=O)(=O)C5=CC=C(C=C5)N6C(=O)N=NC6=O

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)NS(=O)(=O)C5=CC=C(C=C5)N6C(=O)N=NC6=O

InChI

InChI=1S/C24H14N4O4S/c29-23-25-26-24(30)28(23)17-8-10-18(11-9-17)33(31,32)27-20-13-7-16-5-4-14-2-1-3-15-6-12-19(20)22(16)21(14)15/h1-13,27H