1-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-(2-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-(2-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-(2-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-o-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=C2SCC(=O)C)C3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=C2SCC(=O)C)C3=CN=CC=C3

InChI

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