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

Systemtic Name: 2-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole Openeye Name: 2-[(E)-3-(p-tolylsulfonyl)allyl]sulfanyl-5-(3-pyridyl)-1,3,4-oxadiazole CAS Name: 2-[[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]thio]-5-(3-pyridinyl)-1,3,4-oxadiazole IUPAC Name: 2-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]sulfanyl-5-pyridin-3-yl-1,3,4-oxadiazole Traditional Name: 2-(3-pyridyl)-5-[[(E)-3-tosylallyl]thio]-1,3,4-oxadiazole Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S2/c1-13-5-7-15(8-6-13)25(21,22)11-3-10-24-17-20-19-16(23-17)14-4-2-9-18-12-14/h2-9,11-12H,10H2,1H3/b11-3+