2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-propan-1-one

Systemtic Name: 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-propan-1-one Openeye Name: 1-morpholino-2-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 2-[[4-(3-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)-1-propanone IUPAC Name: 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one Traditional Name: 1-morpholino-2-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C20H27N5O3S MolecularWeight: 417.52508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SC(C)C(=O)N3CCOCC3)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SC(C)C(=O)N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C20H27N5O3S/c1-15-4-3-5-17(14-15)25-19(24-8-12-28-13-9-24)21-22-20(25)29-16(2)18(26)23-6-10-27-11-7-23/h3-5,14,16H,6-13H2,1-2H3