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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetamide Formula: C18H15N5O4S MolecularWeight: 397.4078

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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-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O4S/c1-2-27-13-4-6-15-16(8-13)22-18(21-15)28-10-17(24)20-14-5-3-12(23(25)26)7-11(14)9-19/h3-8H,2,10H2,1H3,(H,20,24)(H,21,22)