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

Systemtic Name: 2-(4-chlorophenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(4-chlorophenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(4-chlorophenyl)-5-[(2-methyl-3-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(4-chlorophenyl)-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(4-chlorophenyl)-5-[(2-methyl-3-nitro-benzyl)thio]-1,3,4-oxadiazole Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O3S/c1-10-12(3-2-4-14(10)20(21)22)9-24-16-19-18-15(23-16)11-5-7-13(17)8-6-11/h2-8H,9H2,1H3