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

Systemtic Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholino-ethanone CAS Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-1-morpholino-ethanone Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCOCC2)CCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCOCC2)CCC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O2S/c1-20-15(8-7-14-5-3-2-4-6-14)18-19-17(20)24-13-16(22)21-9-11-23-12-10-21/h2-6H,7-13H2,1H3