5-nitro-6-propyl-1-sulfanyl-benzimidazole

Systemtic Name: 5-nitro-6-propyl-1-sulfanyl-benzimidazole Openeye Name: 5-nitro-6-propyl-1-sulfanyl-benzimidazole CAS Name: 1-mercapto-5-nitro-6-propylbenzimidazole IUPAC Name: 5-nitro-6-propyl-1-sulfanylbenzimidazole Traditional Name: 1-mercapto-5-nitro-6-propyl-benzimidazole Formula: C10H11N3O2S MolecularWeight: 237.27824

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1[N+](=O)[O-])N=CN2S

Isomeric SMILES

CCCC1=CC2=C(C=C1[N+](=O)[O-])N=CN2S

InChI

InChI=1S/C10H11N3O2S/c1-2-3-7-4-10-8(11-6-12(10)16)5-9(7)13(14)15/h4-6,16H,2-3H2,1H3