6-nitro-2-[(3-propylimidazol-4-yl)methylsulfanyl]-1H-benzimidazole

Systemtic Name: 6-nitro-2-[(3-propylimidazol-4-yl)methylsulfanyl]-1H-benzimidazole Openeye Name: 6-nitro-2-[(3-propylimidazol-4-yl)methylsulfanyl]-1H-benzimidazole CAS Name: 6-nitro-2-[(3-propyl-4-imidazolyl)methylthio]-1H-benzimidazole IUPAC Name: 6-nitro-2-[(3-propylimidazol-4-yl)methylsulfanyl]-1H-benzimidazole Traditional Name: 6-nitro-2-[(3-propylimidazol-4-yl)methylthio]-1H-benzimidazole Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC=C1CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C=NC=C1CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O2S/c1-2-5-18-9-15-7-11(18)8-22-14-16-12-4-3-10(19(20)21)6-13(12)17-14/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,17)