2-(4-tert-butylphenyl)-5-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(4-tert-butylphenyl)-5-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(4-tert-butylphenyl)-5-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(4-tert-butylphenyl)-5-[(2-chloro-6-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(4-tert-butylphenyl)-5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(4-tert-butylphenyl)-5-[(2-chloro-6-nitro-benzyl)thio]-1,3,4-oxadiazole Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCC3=C(C=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCC3=C(C=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN3O3S/c1-19(2,3)13-9-7-12(8-10-13)17-21-22-18(26-17)27-11-14-15(20)5-4-6-16(14)23(24)25/h4-10H,11H2,1-3H3