5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole

Systemtic Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole CAS Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole Formula: C16H11N5O3S MolecularWeight: 353.35524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O3S/c22-21(23)11-5-3-4-10(8-11)15-19-14(24-20-15)9-25-16-17-12-6-1-2-7-13(12)18-16/h1-8H,9H2,(H,17,18)