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

Systemtic Name: 1-[(1Z,3E)-6-(4-bromophenyl)-1-methylsulfanyl-hexa-1,3-dien-5-yn-3-yl]sulfonyl-4-methyl-benzene Openeye Name: 1-[(E)-4-(4-bromophenyl)-1-[(Z)-2-methylsulfanylvinyl]but-1-en-3-ynyl]sulfonyl-4-methyl-benzene CAS Name: 1-[(1Z,3E)-6-(4-bromophenyl)-1-(methylthio)hexa-1,3-dien-5-yn-3-yl]sulfonyl-4-methylbenzene IUPAC Name: 1-[(1Z,3E)-6-(4-bromophenyl)-1-methylsulfanylhexa-1,3-dien-5-yn-3-yl]sulfonyl-4-methylbenzene Traditional Name: 1-[(E)-4-(4-bromophenyl)-1-[(Z)-2-(methylthio)vinyl]but-1-en-3-ynyl]sulfonyl-4-methyl-benzene Formula: C20H17BrO2S2 MolecularWeight: 433.38178

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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)Br)C=CSC

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrO2S2/c1-16-6-12-20(13-7-16)25(22,23)19(14-15-24-2)5-3-4-17-8-10-18(21)11-9-17/h5-15H,1-2H3/b15-14-,19-5+