4-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-butan-1-one

Systemtic Name: 4-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-butan-1-one Openeye Name: 4-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-butan-1-one CAS Name: 4-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)-1-butanone IUPAC Name: 4-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylbutan-1-one Traditional Name: 4-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-morpholino-butan-1-one Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)N4CCOCC4

InChI

InChI=1S/C24H28N4O3S/c1-19-8-5-6-11-21(19)31-18-22-25-26-24(28(22)20-9-3-2-4-10-20)32-17-7-12-23(29)27-13-15-30-16-14-27/h2-6,8-11H,7,12-18H2,1H3