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

Systemtic Name: 3-[3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-oxidanidyl-1,2,4-triazin-6-yl]propanoate Openeye Name: 3-[3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-5-oxido-1,2,4-triazin-6-yl]propanoate CAS Name: 3-[3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-5-oxido-1,2,4-triazin-6-yl]propanoate IUPAC Name: 3-[3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-5-oxido-1,2,4-triazin-6-yl]propanoate Traditional Name: 3-[3-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-5-oxido-1,2,4-triazin-6-yl]propionate Formula: C16H15N3O6S-2 MolecularWeight: 377.3718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC(=C(N=N2)CCC(=O)[O-])[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC(=C(N=N2)CCC(=O)[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-2