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

Systemtic Name: 5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-yl-pentan-1-one Openeye Name: 5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholino-pentan-1-one CAS Name: 5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-morpholinyl)-1-pentanone IUPAC Name: 5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpentan-1-one Traditional Name: 5-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-morpholino-pentan-1-one Formula: C18H24N4O2S MolecularWeight: 360.47376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCCCCC(=O)N3CCOCC3

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCCCCC(=O)N3CCOCC3

InChI

InChI=1S/C18H24N4O2S/c1-15-19-20-18(22(15)16-7-3-2-4-8-16)25-14-6-5-9-17(23)21-10-12-24-13-11-21/h2-4,7-8H,5-6,9-14H2,1H3