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

Systemtic Name: 2-methyl-5-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]sulfanyl-1,3,4-thiadiazole Openeye Name: 2-methyl-5-[(E)-3-(p-tolylsulfonyl)allyl]sulfanyl-1,3,4-thiadiazole CAS Name: 2-methyl-5-[[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]thio]-1,3,4-thiadiazole IUPAC Name: 2-methyl-5-[(E)-3-(4-methylphenyl)sulfonylprop-2-enyl]sulfanyl-1,3,4-thiadiazole Traditional Name: 2-methyl-5-[[(E)-3-tosylallyl]thio]-1,3,4-thiadiazole Formula: C13H14N2O2S3 MolecularWeight: 326.45746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C=CCSC2=NN=C(S2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C=C/CSC2=NN=C(S2)C

InChI

InChI=1S/C13H14N2O2S3/c1-10-4-6-12(7-5-10)20(16,17)9-3-8-18-13-15-14-11(2)19-13/h3-7,9H,8H2,1-2H3/b9-3+