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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC3=CC(=C(C4=CC=CC=C43)O)SC5=NC=NN5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC3=CC(=C(C4=CC=CC=C43)O)SC5=NC=NN5

InChI

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