2-(4-tert-butylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(4-tert-butylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(4-tert-butylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(4-tert-butylphenyl)-5-[(3-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(4-tert-butylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(4-tert-butylphenyl)-5-[(3-nitrobenzyl)thio]-1,3,4-oxadiazole Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O3S/c1-19(2,3)15-9-7-14(8-10-15)17-20-21-18(25-17)26-12-13-5-4-6-16(11-13)22(23)24/h4-11H,12H2,1-3H3