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

Systemtic Name: 6-methyl-3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-olate Openeye Name: 6-methyl-3-(o-tolylmethylsulfanyl)-1,2,4-triazin-5-olate CAS Name: 6-methyl-3-[(2-methylphenyl)methylthio]-1,2,4-triazin-5-olate IUPAC Name: 6-methyl-3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-olate Traditional Name: 6-methyl-3-[(2-methylbenzyl)thio]-1,2,4-triazin-5-olate Formula: C12H12N3OS- MolecularWeight: 246.30818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=C(N=N2)C)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=C(N=N2)C)[O-]

InChI

InChI=1S/C12H13N3OS/c1-8-5-3-4-6-10(8)7-17-12-13-11(16)9(2)14-15-12/h3-6H,7H2,1-2H3,(H,13,15,16)/p-1