2-[(2,5-dimethoxy-4-nitro-phenyl)sulfanylmethyl]-5-(2-methylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(2,5-dimethoxy-4-nitro-phenyl)sulfanylmethyl]-5-(2-methylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(2,5-dimethoxy-4-nitro-phenyl)sulfanylmethyl]-5-(o-tolyl)-1,3,4-oxadiazole CAS Name: 2-[[(2,5-dimethoxy-4-nitrophenyl)thio]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(2,5-dimethoxy-4-nitrophenyl)sulfanylmethyl]-5-(2-methylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[[(2,5-dimethoxy-4-nitro-phenyl)thio]methyl]-5-(o-tolyl)-1,3,4-oxadiazole Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(O2)CSC3=C(C=C(C(=C3)OC)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(O2)CSC3=C(C=C(C(=C3)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N3O5S/c1-11-6-4-5-7-12(11)18-20-19-17(26-18)10-27-16-9-14(24-2)13(21(22)23)8-15(16)25-3/h4-9H,10H2,1-3H3