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

Systemtic Name: 2-[[4-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[4-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[4-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[4-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-2-17-8-10-19(11-9-17)26-21(18-6-4-3-5-7-18)23-24-22(26)29-16-20(27)25-12-14-28-15-13-25/h3-11H,2,12-16H2,1H3