4-(3,4-dimethoxyphenyl)-6-(2-oxidanylidenepropyl)-1,3,5-triazine-2-thiolate

Systemtic Name: 4-(3,4-dimethoxyphenyl)-6-(2-oxidanylidenepropyl)-1,3,5-triazine-2-thiolate Openeye Name: 4-acetonyl-6-(3,4-dimethoxyphenyl)-1,3,5-triazine-2-thiolate CAS Name: 4-(3,4-dimethoxyphenyl)-6-(2-oxopropyl)-1,3,5-triazine-2-thiolate IUPAC Name: 4-(3,4-dimethoxyphenyl)-6-(2-oxopropyl)-1,3,5-triazine-2-thiolate Traditional Name: 4-acetonyl-6-(3,4-dimethoxyphenyl)-s-triazine-2-thiolate Formula: C14H14N3O3S- MolecularWeight: 304.34426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NC(=NC(=N1)C2=CC(=C(C=C2)OC)OC)[S-]

Isomeric SMILES

CC(=O)CC1=NC(=NC(=N1)C2=CC(=C(C=C2)OC)OC)[S-]

InChI

InChI=1S/C14H15N3O3S/c1-8(18)6-12-15-13(17-14(21)16-12)9-4-5-10(19-2)11(7-9)20-3/h4-5,7H,6H2,1-3H3,(H,15,16,17,21)/p-1