1-(5-methylcyclopenta-1,4-dien-1-yl)-4-[2-(4-methylsulfanylphenyl)ethynyl]benzene

Systemtic Name: 1-(5-methylcyclopenta-1,4-dien-1-yl)-4-[2-(4-methylsulfanylphenyl)ethynyl]benzene Openeye Name: 1-(5-methylcyclopenta-1,4-dien-1-yl)-4-[2-(4-methylsulfanylphenyl)ethynyl]benzene CAS Name: 1-(5-methyl-1-cyclopenta-1,4-dienyl)-4-[2-[4-(methylthio)phenyl]ethynyl]benzene IUPAC Name: 1-(5-methylcyclopenta-1,4-dien-1-yl)-4-[2-(4-methylsulfanylphenyl)ethynyl]benzene Traditional Name: 1-(5-methylcyclopenta-1,4-dien-1-yl)-4-[2-[4-(methylthio)phenyl]ethynyl]benzene Formula: C21H18S MolecularWeight: 302.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC=C1C2=CC=C(C=C2)C#CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CCC=C1C2=CC=C(C=C2)C#CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H18S/c1-16-4-3-5-21(16)19-12-8-17(9-13-19)6-7-18-10-14-20(22-2)15-11-18/h4-5,8-15H,3H2,1-2H3