6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-quinone Formula: C20H14N4O2S2 MolecularWeight: 406.48076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(N2)NC(=CC3=O)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(N2)NC(=CC3=O)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H14N4O2S2/c25-15-10-12(11-27-20-22-14-8-4-5-9-16(14)28-20)21-18-17(15)19(26)24(23-18)13-6-2-1-3-7-13/h1-10H,11H2,(H2,21,23,25)