2-[(3-methyl-4-nitro-pyridin-2-yl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 2-[(3-methyl-4-nitro-pyridin-2-yl)methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[(3-methyl-4-nitro-2-pyridyl)methylsulfanyl]-1H-benzimidazole CAS Name: 2-[(3-methyl-4-nitro-2-pyridinyl)methylthio]-1H-benzimidazole IUPAC Name: 2-[(3-methyl-4-nitropyridin-2-yl)methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[(3-methyl-4-nitro-2-pyridyl)methylthio]-1H-benzimidazole Formula: C14H12N4O2S MolecularWeight: 300.33568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O2S/c1-9-12(15-7-6-13(9)18(19)20)8-21-14-16-10-4-2-3-5-11(10)17-14/h2-7H,8H2,1H3,(H,16,17)