N-(2-bromanyl-4-nitro-phenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]thio]acetamide Formula: C13H14BrN5O4S2 MolecularWeight: 448.31536

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NN=C(S1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

COCCNC1=NN=C(S1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C13H14BrN5O4S2/c1-23-5-4-15-12-17-18-13(25-12)24-7-11(20)16-10-3-2-8(19(21)22)6-9(10)14/h2-3,6H,4-5,7H2,1H3,(H,15,17)(H,16,20)