5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole CAS Name: 5-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 5-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole Formula: C17H13N5O4S MolecularWeight: 383.38122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC3=NC(=NO3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC3=NC(=NO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O4S/c1-25-12-6-7-13-14(8-12)19-17(18-13)27-9-15-20-16(21-26-15)10-2-4-11(5-3-10)22(23)24/h2-8H,9H2,1H3,(H,18,19)