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

Systemtic Name: 1-(2,5-dimethoxyphenyl)-2-(3-sulfanylidene-1H-1,2,4-triazol-2-yl)ethanone Openeye Name: 1-(2,5-dimethoxyphenyl)-2-(3-thioxo-1H-1,2,4-triazol-2-yl)ethanone CAS Name: 1-(2,5-dimethoxyphenyl)-2-(3-sulfanylidene-1H-1,2,4-triazol-2-yl)ethanone IUPAC Name: 1-(2,5-dimethoxyphenyl)-2-(3-sulfanylidene-1H-1,2,4-triazol-2-yl)ethanone Traditional Name: 1-(2,5-dimethoxyphenyl)-2-(3-thioxo-1H-1,2,4-triazol-2-yl)ethanone Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)CN2C(=S)N=CN2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)CN2C(=S)N=CN2

InChI

InChI=1S/C12H13N3O3S/c1-17-8-3-4-11(18-2)9(5-8)10(16)6-15-12(19)13-7-14-15/h3-5,7H,6H2,1-2H3,(H,13,14,19)