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

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H19BrN6O4S MolecularWeight: 483.33956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)N4CCOCC4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)N4CCOCC4

InChI

InChI=1S/C17H19BrN6O4S/c18-13-9-12(24(26)27)3-4-14(13)19-15(25)10-29-17-21-20-16(23(17)11-1-2-11)22-5-7-28-8-6-22/h3-4,9,11H,1-2,5-8,10H2,(H,19,25)