1-(2,5-dimethoxyphenyl)-2-(5-ethyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)ethanone

Systemtic Name: 1-(2,5-dimethoxyphenyl)-2-(5-ethyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)ethanone Openeye Name: 1-(2,5-dimethoxyphenyl)-2-(5-ethyl-3-thioxo-1H-1,2,4-triazol-2-yl)ethanone CAS Name: 1-(2,5-dimethoxyphenyl)-2-(5-ethyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)ethanone IUPAC Name: 1-(2,5-dimethoxyphenyl)-2-(5-ethyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)ethanone Traditional Name: 1-(2,5-dimethoxyphenyl)-2-(5-ethyl-3-thioxo-1H-1,2,4-triazol-2-yl)ethanone Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=S)N(N1)CC(=O)C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CCC1=NC(=S)N(N1)CC(=O)C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C14H17N3O3S/c1-4-13-15-14(21)17(16-13)8-11(18)10-7-9(19-2)5-6-12(10)20-3/h5-7H,4,8H2,1-3H3,(H,15,16,21)