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

Systemtic Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-pentan-1-one Openeye Name: 1-morpholino-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)-1-pentanone IUPAC Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylpentan-1-one Traditional Name: 1-morpholino-5-[[4-phenyl-5-(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)C2=NN=C(N2C3=CC=CC=C3)SCCCCC(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCCC(=O)N4CCOCC4

InChI

InChI=1S/C24H28N4O2S/c1-19-10-12-20(13-11-19)23-25-26-24(28(23)21-7-3-2-4-8-21)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