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

Systemtic Name: 2-[[4-(2-ethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[4-(2-ethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-(2-ethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[4-(2-ethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[4-(2-ethylphenyl)-5-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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