3-[[(3-nitrophenyl)amino]methyl]-1H-benzimidazole-2-thione

Systemtic Name: 3-[[(3-nitrophenyl)amino]methyl]-1H-benzimidazole-2-thione Openeye Name: 3-[(3-nitroanilino)methyl]-1H-benzimidazole-2-thione CAS Name: 3-[(3-nitroanilino)methyl]-1H-benzimidazole-2-thione IUPAC Name: 3-[(3-nitroanilino)methyl]-1H-benzimidazole-2-thione Traditional Name: 3-[(3-nitroanilino)methyl]-1H-benzimidazole-2-thione Formula: C14H12N4O2S MolecularWeight: 300.33568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=S)N2CNC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=S)N2CNC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O2S/c19-18(20)11-5-3-4-10(8-11)15-9-17-13-7-2-1-6-12(13)16-14(17)21/h1-8,15H,9H2,(H,16,21)