1-(2,5-dimethylphenyl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,5-dimethylphenyl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2,5-dimethylphenyl)-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethylphenyl)-2-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2,5-dimethylphenyl)-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H24N4O2S/c1-16-8-9-17(2)19(14-16)20(27)15-29-22-24-23-21(25-10-12-28-13-11-25)26(22)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3