2-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]sulfanyl-5-(phenylmethyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]sulfanyl-5-(phenylmethyl)-1,3,4-oxadiazole Openeye Name: 2-benzyl-5-[(E)-3-(p-tolylsulfonyl)allyl]sulfanyl-1,3,4-oxadiazole CAS Name: 2-[[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]thio]-5-(phenylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-benzyl-5-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]sulfanyl-1,3,4-oxadiazole Traditional Name: 2-benzyl-5-[[(E)-3-tosylallyl]thio]-1,3,4-oxadiazole Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C=CCSC2=NN=C(O2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C=C/CSC2=NN=C(O2)CC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S2/c1-15-8-10-17(11-9-15)26(22,23)13-5-12-25-19-21-20-18(24-19)14-16-6-3-2-4-7-16/h2-11,13H,12,14H2,1H3/b13-5+