N-(2-chloranyl-4-nitro-phenyl)-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[(4-methyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[4-methyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[(4-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(4-methyl-5-morpholino-1,2,4-triazol-3-yl)thio]acetamide Formula: C15H17ClN6O4S MolecularWeight: 412.85128

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3CCOCC3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3CCOCC3

InChI

InChI=1S/C15H17ClN6O4S/c1-20-14(21-4-6-26-7-5-21)18-19-15(20)27-9-13(23)17-12-3-2-10(22(24)25)8-11(12)16/h2-3,8H,4-7,9H2,1H3,(H,17,23)