6-[(2-methylphenyl)methyl]-3-(2-oxidanylidenepropylsulfanyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 6-[(2-methylphenyl)methyl]-3-(2-oxidanylidenepropylsulfanyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-acetonylsulfanyl-6-(o-tolylmethyl)-2H-1,2,4-triazin-5-one CAS Name: 6-[(2-methylphenyl)methyl]-3-(2-oxopropylthio)-2H-1,2,4-triazin-5-one IUPAC Name: 6-[(2-methylphenyl)methyl]-3-(2-oxopropylsulfanyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-(acetonylthio)-6-(2-methylbenzyl)-2H-1,2,4-triazin-5-one Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=NNC(=NC2=O)SCC(=O)C

Isomeric SMILES

CC1=CC=CC=C1CC2=NNC(=NC2=O)SCC(=O)C

InChI

InChI=1S/C14H15N3O2S/c1-9-5-3-4-6-11(9)7-12-13(19)15-14(17-16-12)20-8-10(2)18/h3-6H,7-8H2,1-2H3,(H,15,17,19)