5-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]-1,3-dihydrobenzimidazole-2-thione

Systemtic Name: 5-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]-1,3-dihydrobenzimidazole-2-thione Openeye Name: 5-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]-1,3-dihydrobenzimidazole-2-thione CAS Name: 5-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]-1,3-dihydrobenzimidazole-2-thione IUPAC Name: 5-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]-1,3-dihydrobenzimidazole-2-thione Traditional Name: 5-[(2-methyl-4,6-dinitro-1H-benzimidazol-5-yl)amino]-1,3-dihydrobenzimidazole-2-thione Formula: C15H11N7O4S MolecularWeight: 385.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])NC3=CC4=C(C=C3)NC(=S)N4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])NC3=CC4=C(C=C3)NC(=S)N4)[N+](=O)[O-]

InChI

InChI=1S/C15H11N7O4S/c1-6-16-10-5-11(21(23)24)13(14(22(25)26)12(10)17-6)18-7-2-3-8-9(4-7)20-15(27)19-8/h2-5,18H,1H3,(H,16,17)(H2,19,20,27)