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

Systemtic Name: 2-[[4-(2-ethylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[4-(2-ethylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-(2-ethylphenyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[4-(2-ethylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[4-(2-ethylphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCOCC3)C4=CC=CC=N4

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCOCC3)C4=CC=CC=N4

InChI

InChI=1S/C21H23N5O2S/c1-2-16-7-3-4-9-18(16)26-20(17-8-5-6-10-22-17)23-24-21(26)29-15-19(27)25-11-13-28-14-12-25/h3-10H,2,11-15H2,1H3