1-[(1E,3E)-6-(4-methoxyphenyl)-1-methylsulfanyl-hexa-1,3-dien-5-yn-3-yl]sulfonyl-4-methyl-benzene

Systemtic Name: 1-[(1E,3E)-6-(4-methoxyphenyl)-1-methylsulfanyl-hexa-1,3-dien-5-yn-3-yl]sulfonyl-4-methyl-benzene Openeye Name: 1-[(E)-4-(4-methoxyphenyl)-1-[(E)-2-methylsulfanylvinyl]but-1-en-3-ynyl]sulfonyl-4-methyl-benzene CAS Name: 1-[(1E,3E)-6-(4-methoxyphenyl)-1-(methylthio)hexa-1,3-dien-5-yn-3-yl]sulfonyl-4-methylbenzene IUPAC Name: 1-[(1E,3E)-6-(4-methoxyphenyl)-1-methylsulfanylhexa-1,3-dien-5-yn-3-yl]sulfonyl-4-methylbenzene Traditional Name: 1-[(E)-4-(4-methoxyphenyl)-1-[(E)-2-(methylthio)vinyl]but-1-en-3-ynyl]sulfonyl-4-methyl-benzene Formula: C21H20O3S2 MolecularWeight: 384.5117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC#CC2=CC=C(C=C2)OC)C=CSC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C#CC2=CC=C(C=C2)OC)/C=C/SC

InChI

InChI=1S/C21H20O3S2/c1-17-7-13-21(14-8-17)26(22,23)20(15-16-25-3)6-4-5-18-9-11-19(24-2)12-10-18/h6-16H,1-3H3/b16-15+,20-6+