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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]acetamide Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

COCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H17N5O4S/c1-28-9-8-23-17-5-3-2-4-16(17)22-19(23)29-12-18(25)21-15-7-6-14(24(26)27)10-13(15)11-20/h2-7,10H,8-9,12H2,1H3,(H,21,25)