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

Systemtic Name: 6-[(E)-2-(4-methylphenyl)ethenyl]-3-methylsulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 3-methylsulfanyl-6-[(E)-2-(p-tolyl)vinyl]-2H-1,2,4-triazin-5-one CAS Name: 6-[(E)-2-(4-methylphenyl)ethenyl]-3-(methylthio)-2H-1,2,4-triazin-5-one IUPAC Name: 6-[(E)-2-(4-methylphenyl)ethenyl]-3-methylsulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 3-(methylthio)-6-[(E)-2-(p-tolyl)vinyl]-2H-1,2,4-triazin-5-one Formula: C13H13N3OS MolecularWeight: 259.32682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C2=NNC(=NC2=O)SC

InChI

InChI=1S/C13H13N3OS/c1-9-3-5-10(6-4-9)7-8-11-12(17)14-13(18-2)16-15-11/h3-8H,1-2H3,(H,14,16,17)/b8-7+