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

Systemtic Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-pentan-1-one Openeye Name: 1-morpholino-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)-1-pentanone IUPAC Name: 5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylpentan-1-one Traditional Name: 1-morpholino-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2S/c1-19-10-12-21(13-11-19)28-23(20-7-3-2-4-8-20)25-26-24(28)31-18-6-5-9-22(29)27-14-16-30-17-15-27/h2-4,7-8,10-13H,5-6,9,14-18H2,1H3