6-ethoxy-2-[(3-nitrophenyl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 6-ethoxy-2-[(3-nitrophenyl)methylsulfanyl]-1H-benzimidazole Openeye Name: 6-ethoxy-2-[(3-nitrophenyl)methylsulfanyl]-1H-benzimidazole CAS Name: 6-ethoxy-2-[(3-nitrophenyl)methylthio]-1H-benzimidazole IUPAC Name: 6-ethoxy-2-[(3-nitrophenyl)methylsulfanyl]-1H-benzimidazole Traditional Name: 6-ethoxy-2-[(3-nitrobenzyl)thio]-1H-benzimidazole Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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