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

Systemtic Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-methylsulfanyl-1,2,4-triazin-5-olate Openeye Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-methylsulfanyl-1,2,4-triazin-5-olate CAS Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-(methylthio)-1,2,4-triazin-5-olate IUPAC Name: 6-[(3,4-dimethoxyphenyl)methyl]-3-methylsulfanyl-1,2,4-triazin-5-olate Traditional Name: 3-(methylthio)-6-veratryl-1,2,4-triazin-5-olate Formula: C13H14N3O3S- MolecularWeight: 292.33356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=C(N=C(N=N2)SC)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=C(N=C(N=N2)SC)[O-])OC

InChI

InChI=1S/C13H15N3O3S/c1-18-10-5-4-8(7-11(10)19-2)6-9-12(17)14-13(20-3)16-15-9/h4-5,7H,6H2,1-3H3,(H,14,16,17)/p-1