2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1-methyl-benzimidazole

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1-methyl-benzimidazole Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-1-methyl-benzimidazole CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-1-methylbenzimidazole IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1-methylbenzimidazole Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-1-methyl-benzimidazole Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O3S/c1-18-13-6-4-3-5-12(13)17-16(18)23-10-11-7-8-15(22-2)14(9-11)19(20)21/h3-9H,10H2,1-2H3