6-methoxy-2-[(4-nitrophenyl)methylsulfanyl]-1-phenyl-benzimidazole

Systemtic Name: 6-methoxy-2-[(4-nitrophenyl)methylsulfanyl]-1-phenyl-benzimidazole Openeye Name: 6-methoxy-2-[(4-nitrophenyl)methylsulfanyl]-1-phenyl-benzimidazole CAS Name: 6-methoxy-2-[(4-nitrophenyl)methylthio]-1-phenylbenzimidazole IUPAC Name: 6-methoxy-2-[(4-nitrophenyl)methylsulfanyl]-1-phenylbenzimidazole Traditional Name: 6-methoxy-2-[(4-nitrobenzyl)thio]-1-phenyl-benzimidazole Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O3S/c1-27-18-11-12-19-20(13-18)23(16-5-3-2-4-6-16)21(22-19)28-14-15-7-9-17(10-8-15)24(25)26/h2-13H,14H2,1H3