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

Systemtic Name: 1-morpholin-4-yl-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-morpholino-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-(4-morpholinyl)-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-morpholin-4-yl-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-morpholino-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4S/c28-20(25-12-14-31-15-13-25)7-4-16-32-22-24-23-21(26(22)18-5-2-1-3-6-18)17-8-10-19(11-9-17)27(29)30/h1-3,5-6,8-11H,4,7,12-16H2