2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=C(N2)C=C(C=C3)Cl

InChI

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