N-(2-bromanyl-4-nitro-phenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetamide Formula: C16H13BrN4O4S MolecularWeight: 437.26782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H13BrN4O4S/c1-25-10-3-5-13-14(7-10)20-16(19-13)26-8-15(22)18-12-4-2-9(21(23)24)6-11(12)17/h2-7H,8H2,1H3,(H,18,22)(H,19,20)