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

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-6-[(4-methylphenyl)methyl]-2H-1,2,4-triazin-5-one Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-6-(p-tolylmethyl)-2H-1,2,4-triazin-5-one CAS Name: 3-[(3-chlorophenyl)methylthio]-6-[(4-methylphenyl)methyl]-2H-1,2,4-triazin-5-one IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-6-[(4-methylphenyl)methyl]-2H-1,2,4-triazin-5-one Traditional Name: 3-[(3-chlorobenzyl)thio]-6-(4-methylbenzyl)-2H-1,2,4-triazin-5-one Formula: C18H16ClN3OS MolecularWeight: 357.85714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H16ClN3OS/c1-12-5-7-13(8-6-12)10-16-17(23)20-18(22-21-16)24-11-14-3-2-4-15(19)9-14/h2-9H,10-11H2,1H3,(H,20,22,23)