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

Systemtic Name: 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholino-ethanone CAS Name: 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-morpholino-ethanone Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4O2S/c1-2-3-9-22-17(15-7-5-4-6-8-15)19-20-18(22)25-14-16(23)21-10-12-24-13-11-21/h4-8H,2-3,9-14H2,1H3