2-methyl-4-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4H-phthalazin-2-ium-1-one

Systemtic Name: 2-methyl-4-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4H-phthalazin-2-ium-1-one Openeye Name: 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-4H-phthalazin-2-ium-1-one CAS Name: 2-methyl-4-[[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-4H-phthalazin-2-ium-1-one IUPAC Name: 4-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-4H-phthalazin-2-ium-1-one Traditional Name: 4-[[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-2-methyl-4H-phthalazin-2-ium-1-one Formula: C20H20N5OS+ MolecularWeight: 378.4707

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)CC3C4=CC=CC=C4C(=O)[N+](=N3)C

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)CC3C4=CC=CC=C4C(=O)[N+](=N3)C

InChI

InChI=1S/C20H20N5OS/c1-24-18(21-22-20(24)27-13-14-8-4-3-5-9-14)12-17-15-10-6-7-11-16(15)19(26)25(2)23-17/h3-11,17H,12-13H2,1-2H3/q+1