5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole Openeye Name: 3-(4-isopropylphenyl)-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 5-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole Traditional Name: 5-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-3-p-cumenyl-1,2,4-oxadiazole Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H17N3O2S/c1-12(2)13-6-8-14(9-7-13)17-18-15(22-19-17)11-23-16-5-3-4-10-20(16)21/h3-10,12H,11H2,1-2H3