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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetamide Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN4O4S/c1-2-26-11-4-6-14-15(8-11)21-17(20-14)27-9-16(23)19-13-5-3-10(22(24)25)7-12(13)18/h3-8H,2,9H2,1H3,(H,19,23)(H,20,21)