N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[2-(1H-benzimidazol-2-yl)phenyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-(1H-benzimidazol-2-yl)phenyl]-4-(methylthio)-3-nitro-benzamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3S/c1-29-19-11-10-13(12-18(19)25(27)28)21(26)24-15-7-3-2-6-14(15)20-22-16-8-4-5-9-17(16)23-20/h2-12H,1H3,(H,22,23)(H,24,26)