4-[5-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]morpholine

Systemtic Name: 4-[5-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]morpholine Openeye Name: 4-[5-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]morpholine CAS Name: 4-[5-[(3-bromo-4-methoxyphenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]morpholine IUPAC Name: 4-[5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]morpholine Traditional Name: 4-[5-[(3-bromo-4-methoxy-benzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]morpholine Formula: C16H21BrN4O2S MolecularWeight: 413.33254

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=C(C=C2)OC)Br)N3CCOCC3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=C(C=C2)OC)Br)N3CCOCC3

InChI

InChI=1S/C16H21BrN4O2S/c1-3-21-15(20-6-8-23-9-7-20)18-19-16(21)24-11-12-4-5-14(22-2)13(17)10-12/h4-5,10H,3,6-9,11H2,1-2H3