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

Systemtic Name: 2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-ethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C17H16N4OS/c1-2-21-16(14-9-6-10-18-11-14)19-20-17(21)23-12-15(22)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3