4-(pyridin-2-ylsulfanylmethyl)-2H-phthalazin-1-one

Systemtic Name: 4-(pyridin-2-ylsulfanylmethyl)-2H-phthalazin-1-one Openeye Name: 4-(2-pyridylsulfanylmethyl)-2H-phthalazin-1-one CAS Name: 4-[(2-pyridinylthio)methyl]-2H-phthalazin-1-one IUPAC Name: 4-(pyridin-2-ylsulfanylmethyl)-2H-phthalazin-1-one Traditional Name: 4-[(2-pyridylthio)methyl]-2H-phthalazin-1-one Formula: C14H11N3OS MolecularWeight: 269.32164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CSC3=CC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CSC3=CC=CC=N3

InChI

InChI=1S/C14H11N3OS/c18-14-11-6-2-1-5-10(11)12(16-17-14)9-19-13-7-3-4-8-15-13/h1-8H,9H2,(H,17,18)