3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one Openeye Name: 3-[4-(o-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one CAS Name: 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one Traditional Name: 3-[4-(o-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one Formula: C13H11N5OS MolecularWeight: 285.32434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NNC2=S)C3=NNC(=O)C=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NNC2=S)C3=NNC(=O)C=C3

InChI

InChI=1S/C13H11N5OS/c1-8-4-2-3-5-10(8)18-12(16-17-13(18)20)9-6-7-11(19)15-14-9/h2-7H,1H3,(H,15,19)(H,17,20)