2-[(2-chloranyl-5-nitro-phenyl)methylsulfanyl]-5,6-dimethoxy-1H-benzimidazole

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methylsulfanyl]-5,6-dimethoxy-1H-benzimidazole Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methylsulfanyl]-5,6-dimethoxy-1H-benzimidazole CAS Name: 2-[(2-chloro-5-nitrophenyl)methylthio]-5,6-dimethoxy-1H-benzimidazole IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methylsulfanyl]-5,6-dimethoxy-1H-benzimidazole Traditional Name: 2-[(2-chloro-5-nitro-benzyl)thio]-5,6-dimethoxy-1H-benzimidazole Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)NC(=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)NC(=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C16H14ClN3O4S/c1-23-14-6-12-13(7-15(14)24-2)19-16(18-12)25-8-9-5-10(20(21)22)3-4-11(9)17/h3-7H,8H2,1-2H3,(H,18,19)