N-(2-cyanophenyl)-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanophenyl)-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanophenyl)-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanophenyl)-2-[(5-nitro-1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2-cyanophenyl)-2-(5-nitro-1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanophenyl)-2-[(5-nitro-1-phenyl-benzimidazol-2-yl)thio]acetamide Formula: C22H15N5O3S MolecularWeight: 429.4512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C22H15N5O3S/c23-13-15-6-4-5-9-18(15)24-21(28)14-31-22-25-19-12-17(27(29)30)10-11-20(19)26(22)16-7-2-1-3-8-16/h1-12H,14H2,(H,24,28)