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

Systemtic Name: 6-[(2-methylphenyl)methyl]-3-(2-pyrrolidin-1-ylethylsulfanyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-(o-tolylmethyl)-3-(2-pyrrolidin-1-ylethylsulfanyl)-2H-1,2,4-triazin-5-one CAS Name: 6-[(2-methylphenyl)methyl]-3-[2-(1-pyrrolidinyl)ethylthio]-2H-1,2,4-triazin-5-one IUPAC Name: 6-[(2-methylphenyl)methyl]-3-(2-pyrrolidin-1-ylethylsulfanyl)-2H-1,2,4-triazin-5-one Traditional Name: 6-(2-methylbenzyl)-3-(2-pyrrolidinoethylthio)-2H-1,2,4-triazin-5-one Formula: C17H22N4OS MolecularWeight: 330.44778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=NNC(=NC2=O)SCCN3CCCC3

Isomeric SMILES

CC1=CC=CC=C1CC2=NNC(=NC2=O)SCCN3CCCC3

InChI

InChI=1S/C17H22N4OS/c1-13-6-2-3-7-14(13)12-15-16(22)18-17(20-19-15)23-11-10-21-8-4-5-9-21/h2-3,6-7H,4-5,8-12H2,1H3,(H,18,20,22)