2-[(4-chloranylphenoxy)methyl]-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-[(4-chloranylphenoxy)methyl]-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-[(4-chlorophenoxy)methyl]-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-[(4-chlorophenoxy)methyl]-5-[(2-methyl-3-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-[(4-chlorophenoxy)methyl]-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-[(4-chlorophenoxy)methyl]-5-[(2-methyl-3-nitro-benzyl)thio]-1,3,4-oxadiazole Formula: C17H14ClN3O4S MolecularWeight: 391.82876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(O2)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(O2)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN3O4S/c1-11-12(3-2-4-15(11)21(22)23)10-26-17-20-19-16(25-17)9-24-14-7-5-13(18)6-8-14/h2-8H,9-10H2,1H3