N-(3-bromanyl-4-methyl-phenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-(3-bromo-4-methylphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-(3-bromo-4-methylphenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-(3-bromo-4-methyl-phenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide Formula: C16H13BrN4O3S MolecularWeight: 421.26842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H13BrN4O3S/c1-9-2-3-10(6-12(9)17)18-15(22)8-25-16-19-13-5-4-11(21(23)24)7-14(13)20-16/h2-7H,8H2,1H3,(H,18,22)(H,19,20)