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

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-6-methyl-1,2,4-triazin-5-olate Formula: C13H14N3OS- MolecularWeight: 260.33476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=C(N=N2)C)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=C(N=N2)C)[O-]

InChI

InChI=1S/C13H15N3OS/c1-8-4-5-9(2)11(6-8)7-18-13-14-12(17)10(3)15-16-13/h4-6H,7H2,1-3H3,(H,14,16,17)/p-1