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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetamide Formula: C17H13N5O4S MolecularWeight: 383.38122

Click to see the large picture

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-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H13N5O4S/c1-26-12-3-5-14-15(7-12)21-17(20-14)27-9-16(23)19-13-4-2-11(22(24)25)6-10(13)8-18/h2-7H,9H2,1H3,(H,19,23)(H,20,21)