2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(phenylmethyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(phenylmethyl)-1,3,4-oxadiazole Openeye Name: 2-benzyl-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-[(2-methoxy-5-nitrophenyl)methylthio]-5-(phenylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-benzyl-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-benzyl-5-[(2-methoxy-5-nitro-benzyl)thio]-1,3,4-oxadiazole Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(O2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(O2)CC3=CC=CC=C3

InChI

InChI=1S/C17H15N3O4S/c1-23-15-8-7-14(20(21)22)10-13(15)11-25-17-19-18-16(24-17)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3