N-[4-oxidanyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]naphthalene-2-sulfonamide

Systemtic Name: N-[4-oxidanyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]naphthalene-2-sulfonamide Openeye Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)-1-naphthyl]naphthalene-2-sulfonamide CAS Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylthio)-1-naphthalenyl]-2-naphthalenesulfonamide IUPAC Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-yl]naphthalene-2-sulfonamide Traditional Name: N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylthio)-1-naphthyl]naphthalene-2-sulfonamide Formula: C22H16N4O3S2 MolecularWeight: 448.51744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=CC(=C(C4=CC=CC=C43)O)SC5=NC=NN5

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=CC(=C(C4=CC=CC=C43)O)SC5=NC=NN5

InChI

InChI=1S/C22H16N4O3S2/c27-21-18-8-4-3-7-17(18)19(12-20(21)30-22-23-13-24-25-22)26-31(28,29)16-10-9-14-5-1-2-6-15(14)11-16/h1-13,26-27H,(H,23,24,25)