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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c27-20(18-8-3-1-4-9-18)12-7-17-29-22-24-23-21(25-13-15-28-16-14-25)26(22)19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2