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

Systemtic Name: 3-[(3-cyanophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[(3-cyanophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[(3-cyanophenyl)methylthio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[(3-cyanophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[(3-cyanobenzyl)thio]-6-methyl-1,2,4-triazin-5-olate Formula: C12H9N4OS- MolecularWeight: 257.29106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC2=CC=CC(=C2)C#N)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC2=CC=CC(=C2)C#N)[O-]

InChI

InChI=1S/C12H10N4OS/c1-8-11(17)14-12(16-15-8)18-7-10-4-2-3-9(5-10)6-13/h2-5H,7H2,1H3,(H,14,16,17)/p-1