1-(2,5-dimethoxyphenyl)-2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,5-dimethoxyphenyl)-2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethoxyphenyl)-2-[[4-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2,5-dimethoxyphenyl)-2-[[4-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2,5-dimethoxyphenyl)-2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethoxyphenyl)-2-[[4-(2-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NN=CN2C3=CC=CC=N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NN=CN2C3=CC=CC=N3

InChI

InChI=1S/C17H16N4O3S/c1-23-12-6-7-15(24-2)13(9-12)14(22)10-25-17-20-19-11-21(17)16-5-3-4-8-18-16/h3-9,11H,10H2,1-2H3