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

Systemtic Name: 2-[[4-(4-ethylphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[4-(4-ethylphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-(4-ethylphenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[4-(4-ethylphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[4-(4-ethylphenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)CCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCOCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2S/c1-2-19-8-11-21(12-9-19)28-22(13-10-20-6-4-3-5-7-20)25-26-24(28)31-18-23(29)27-14-16-30-17-15-27/h3-9,11-12H,2,10,13-18H2,1H3