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

Systemtic Name: 6-[(2-methylphenyl)methyl]-3-(2-piperidin-1-ylethylsulfanyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-(o-tolylmethyl)-3-[2-(1-piperidyl)ethylsulfanyl]-2H-1,2,4-triazin-5-one CAS Name: 6-[(2-methylphenyl)methyl]-3-[2-(1-piperidinyl)ethylthio]-2H-1,2,4-triazin-5-one IUPAC Name: 6-[(2-methylphenyl)methyl]-3-(2-piperidin-1-ylethylsulfanyl)-2H-1,2,4-triazin-5-one Traditional Name: 6-(2-methylbenzyl)-3-(2-piperidinoethylthio)-2H-1,2,4-triazin-5-one Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=NNC(=NC2=O)SCCN3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1CC2=NNC(=NC2=O)SCCN3CCCCC3

InChI

InChI=1S/C18H24N4OS/c1-14-7-3-4-8-15(14)13-16-17(23)19-18(21-20-16)24-12-11-22-9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,19,21,23)