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

Systemtic Name: N-(4-cyanophenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-cyanophenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-(4-cyanophenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-(4-cyanophenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide Formula: C16H11N5O3S MolecularWeight: 353.35524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O3S/c17-8-10-1-3-11(4-2-10)18-15(22)9-25-16-19-13-6-5-12(21(23)24)7-14(13)20-16/h1-7H,9H2,(H,18,22)(H,19,20)