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

Systemtic Name: 4-[[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]methyl]-2H-phthalazin-1-one CAS Name: 4-[[[3-(methylthio)-1H-1,2,4-triazol-5-yl]amino]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)amino]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[[3-(methylthio)-1H-1,2,4-triazol-5-yl]amino]methyl]-2H-phthalazin-1-one Formula: C12H12N6OS MolecularWeight: 288.32828

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=N1)NCC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CSC1=NNC(=N1)NCC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C12H12N6OS/c1-20-12-14-11(17-18-12)13-6-9-7-4-2-3-5-8(7)10(19)16-15-9/h2-5H,6H2,1H3,(H,16,19)(H2,13,14,17,18)