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

Systemtic Name: 2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[[4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[4-ethyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=N3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=N3

InChI

InChI=1S/C18H18N4O2S/c1-3-22-17(15-6-4-5-11-19-15)20-21-18(22)25-12-16(23)13-7-9-14(24-2)10-8-13/h4-11H,3,12H2,1-2H3