6-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-methylsulfanyl-2H-1,2,4-triazin-5-one

Systemtic Name: 6-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-methylsulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 3-methylsulfanyl-6-[2-oxo-2-(p-tolyl)ethyl]-2H-1,2,4-triazin-5-one CAS Name: 6-[2-(4-methylphenyl)-2-oxoethyl]-3-(methylthio)-2H-1,2,4-triazin-5-one IUPAC Name: 6-[2-(4-methylphenyl)-2-oxoethyl]-3-methylsulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 6-[2-keto-2-(p-tolyl)ethyl]-3-(methylthio)-2H-1,2,4-triazin-5-one Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC2=NNC(=NC2=O)SC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC2=NNC(=NC2=O)SC

InChI

InChI=1S/C13H13N3O2S/c1-8-3-5-9(6-4-8)11(17)7-10-12(18)14-13(19-2)16-15-10/h3-6H,7H2,1-2H3,(H,14,16,18)