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

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H14BrN5O4S MolecularWeight: 416.25036

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

COCCN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C13H14BrN5O4S/c1-23-5-4-18-8-15-17-13(18)24-7-12(20)16-11-3-2-9(19(21)22)6-10(11)14/h2-3,6,8H,4-5,7H2,1H3,(H,16,20)