2-methyl-4-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Openeye Name: 2-methyl-4-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methyl]phthalazin-1-one CAS Name: 2-methyl-4-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Traditional Name: 2-methyl-4-[(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Formula: C12H11N5OS MolecularWeight: 273.31364

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC3=NC(=S)NN3

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC3=NC(=S)NN3

InChI

InChI=1S/C12H11N5OS/c1-17-11(18)8-5-3-2-4-7(8)9(16-17)6-10-13-12(19)15-14-10/h2-5H,6H2,1H3,(H2,13,14,15,19)