2-[1-(3-nitrophenyl)ethylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[1-(3-nitrophenyl)ethylsulfanyl]-1H-benzimidazole Openeye Name: 2-[1-(3-nitrophenyl)ethylsulfanyl]-1H-benzimidazole CAS Name: 2-[1-(3-nitrophenyl)ethylthio]-1H-benzimidazole IUPAC Name: 2-[1-(3-nitrophenyl)ethylsulfanyl]-1H-benzimidazole Traditional Name: 2-[1-(3-nitrophenyl)ethylthio]-1H-benzimidazole Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C15H13N3O2S/c1-10(11-5-4-6-12(9-11)18(19)20)21-15-16-13-7-2-3-8-14(13)17-15/h2-10H,1H3,(H,16,17)