4-(1H-benzimidazol-2-ylsulfanyl)-2,6-dinitro-phenol

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-2,6-dinitro-phenol Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-2,6-dinitro-phenol CAS Name: 4-(1H-benzimidazol-2-ylthio)-2,6-dinitrophenol IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-2,6-dinitrophenol Traditional Name: 4-(1H-benzimidazol-2-ylthio)-2,6-dinitro-phenol Formula: C13H8N4O5S MolecularWeight: 332.29142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC3=CC(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC3=CC(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O5S/c18-12-10(16(19)20)5-7(6-11(12)17(21)22)23-13-14-8-3-1-2-4-9(8)15-13/h1-6,18H,(H,14,15)