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

Systemtic Name: 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Openeye Name: 2-[(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one CAS Name: 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-phthalazinone IUPAC Name: 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Traditional Name: 2-[(4-methyl-5-thioxo-1H-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(=NNC1=S)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

CN1C(=NNC1=S)CN2C(=O)C3=CC=CC=C3C=N2

InChI

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