6-ethoxy-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1H-benzimidazole

Systemtic Name: 6-ethoxy-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1H-benzimidazole Openeye Name: 6-ethoxy-2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1H-benzimidazole CAS Name: 6-ethoxy-2-[(4-methylsulfonyl-2-nitrophenyl)thio]-1H-benzimidazole IUPAC Name: 6-ethoxy-2-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1H-benzimidazole Traditional Name: 6-ethoxy-2-[(4-mesyl-2-nitro-phenyl)thio]-1H-benzimidazole Formula: C16H15N3O5S2 MolecularWeight: 393.4374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S2/c1-3-24-10-4-6-12-13(8-10)18-16(17-12)25-15-7-5-11(26(2,22)23)9-14(15)19(20)21/h4-9H,3H2,1-2H3,(H,17,18)