2-(2-chloranyl-4-nitro-phenyl)sulfanyl-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole

Systemtic Name: 2-(2-chloranyl-4-nitro-phenyl)sulfanyl-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole Openeye Name: 2-(2-chloro-4-nitro-phenyl)sulfanyl-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole CAS Name: 2-[(2-chloro-4-nitrophenyl)thio]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole IUPAC Name: 2-(2-chloro-4-nitrophenyl)sulfanyl-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole Traditional Name: 2-[(2-chloro-4-nitro-phenyl)thio]-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole Formula: C17H14ClN3O4S MolecularWeight: 391.82876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN3O4S/c1-10-3-4-11(2)14(7-10)24-9-16-19-20-17(25-16)26-15-6-5-12(21(22)23)8-13(15)18/h3-8H,9H2,1-2H3