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

Systemtic Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-butan-1-one Openeye Name: 1-morpholino-4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)-1-butanone IUPAC Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylbutan-1-one Traditional Name: 1-morpholino-4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-18-9-11-19(12-10-18)22-24-25-23(27(22)20-6-3-2-4-7-20)30-17-5-8-21(28)26-13-15-29-16-14-26/h2-4,6-7,9-12H,5,8,13-17H2,1H3