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

Systemtic Name: 2-methyl-4-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Openeye Name: 2-methyl-4-[(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one CAS Name: 2-methyl-4-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Traditional Name: 2-methyl-4-[(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)CC2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CN1C(=NNC1=S)CC2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C13H13N5OS/c1-17-11(14-15-13(17)20)7-10-8-5-3-4-6-9(8)12(19)18(2)16-10/h3-6H,7H2,1-2H3,(H,15,20)