6-[(4-methylphenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-[(4-methylphenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-(p-tolylmethylsulfanyl)-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[(4-methylphenyl)methylthio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-[(4-methylphenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[(4-methylbenzyl)thio]-2H-1,2,4-triazine-3,5-quinone Formula: C11H11N3O2S MolecularWeight: 249.28894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NNC(=O)NC2=O

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NNC(=O)NC2=O

InChI

InChI=1S/C11H11N3O2S/c1-7-2-4-8(5-3-7)6-17-10-9(15)12-11(16)14-13-10/h2-5H,6H2,1H3,(H2,12,14,15,16)