N-(2-methoxy-5-nitro-phenyl)-3-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-3-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-3-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-3-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-3-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H24N6O5S MolecularWeight: 484.52816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H24N6O5S/c1-32-19-8-7-17(28(30)31)15-18(19)23-20(29)9-14-34-22-25-24-21(26-10-12-33-13-11-26)27(22)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,23,29)