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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C14H14N3O4S- MolecularWeight: 320.34366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)SCC(=O)C2=CC(=C(C=C2)OC)OC)[O-]

Isomeric SMILES

CC1=C(N=C(N=N1)SCC(=O)C2=CC(=C(C=C2)OC)OC)[O-]

InChI

InChI=1S/C14H15N3O4S/c1-8-13(19)15-14(17-16-8)22-7-10(18)9-4-5-11(20-2)12(6-9)21-3/h4-6H,7H2,1-3H3,(H,15,17,19)/p-1