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

Systemtic Name: 1-morpholin-4-yl-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-morpholino-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-morpholinyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-morpholin-4-yl-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-morpholino-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4S/c26-18(23-10-12-29-13-11-23)14-30-20-22-21-19(24(20)16-4-2-1-3-5-16)15-6-8-17(9-7-15)25(27)28/h1-9H,10-14H2