2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(3-methylisoxazol-5-yl)methylsulfanyl]-5-(p-tolyl)-1,3,4-oxadiazole CAS Name: 2-[(3-methyl-5-isoxazolyl)methylthio]-5-(4-methylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(3-methylisoxazol-5-yl)methylthio]-5-(p-tolyl)-1,3,4-oxadiazole Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC(=NO3)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC(=NO3)C

InChI

InChI=1S/C14H13N3O2S/c1-9-3-5-11(6-4-9)13-15-16-14(18-13)20-8-12-7-10(2)17-19-12/h3-7H,8H2,1-2H3