2-[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenyl-ethanone

Systemtic Name: 2-[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenyl-ethanone Openeye Name: 2-[[4-allyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-2-phenyl-ethanone CAS Name: 2-[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)-2-phenylethanone IUPAC Name: 2-[[5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-2-phenylethanone Traditional Name: 2-[[4-allyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-1-morpholino-2-phenyl-ethanone Formula: C25H28N4O3S MolecularWeight: 464.57982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(N2CC=C)SC(C3=CC=CC=C3)C(=O)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(N2CC=C)SC(C3=CC=CC=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C25H28N4O3S/c1-3-12-29-22(18-32-21-11-7-8-19(2)17-21)26-27-25(29)33-23(20-9-5-4-6-10-20)24(30)28-13-15-31-16-14-28/h3-11,17,23H,1,12-16,18H2,2H3