3-[3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-5-oxo-2H-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[3-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-5-keto-2H-1,2,4-triazin-6-yl]propionate Formula: C16H16N3O6S- MolecularWeight: 378.37974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC(=O)C(=NN2)CCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC(=O)C(=NN2)CCC(=O)[O-])OC

InChI

InChI=1S/C16H17N3O6S/c1-24-12-5-3-9(7-13(12)25-2)11(20)8-26-16-17-15(23)10(18-19-16)4-6-14(21)22/h3,5,7H,4,6,8H2,1-2H3,(H,21,22)(H,17,19,23)/p-1