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

Systemtic Name: 1-(4-bromophenyl)-4-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]butan-1-one Formula: C22H23BrN4O2S MolecularWeight: 487.41262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN4O2S/c23-18-10-8-17(9-11-18)20(28)7-4-16-30-22-25-24-21(26-12-14-29-15-13-26)27(22)19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-16H2