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

Systemtic Name: 3-[(3-methylphenyl)methylsulfanyl]-2H-1,2,4-triazin-5-one Openeye Name: 3-(m-tolylmethylsulfanyl)-2H-1,2,4-triazin-5-one CAS Name: 3-[(3-methylphenyl)methylthio]-2H-1,2,4-triazin-5-one IUPAC Name: 3-[(3-methylphenyl)methylsulfanyl]-2H-1,2,4-triazin-5-one Traditional Name: 3-[(3-methylbenzyl)thio]-2H-1,2,4-triazin-5-one Formula: C11H11N3OS MolecularWeight: 233.28954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=O)C=NN2

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=O)C=NN2

InChI

InChI=1S/C11H11N3OS/c1-8-3-2-4-9(5-8)7-16-11-13-10(15)6-12-14-11/h2-6H,7H2,1H3,(H,13,14,15)