2-(4-methylphenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one

Systemtic Name: 2-(4-methylphenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one Openeye Name: 2-(p-tolyl)-3-thioxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one CAS Name: 2-(4-methylphenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one IUPAC Name: 2-(4-methylphenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one Traditional Name: 2-(p-tolyl)-3-thioxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one Formula: C13H15N3OS MolecularWeight: 261.3427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)N3CCCCN3C2=S

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)N3CCCCN3C2=S

InChI

InChI=1S/C13H15N3OS/c1-10-4-6-11(7-5-10)16-12(17)14-8-2-3-9-15(14)13(16)18/h4-7H,2-3,8-9H2,1H3