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

Systemtic Name: 1-morpholin-4-yl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 1-morpholino-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-(4-morpholinyl)-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 1-morpholin-4-yl-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Traditional Name: 1-morpholino-5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O4S/c29-21(26-13-15-32-16-14-26)8-4-5-17-33-23-25-24-22(27(23)19-6-2-1-3-7-19)18-9-11-20(12-10-18)28(30)31/h1-3,6-7,9-12H,4-5,8,13-17H2