1-(3-chloranylcyclopenta-1,4-dien-1-yl)-4-[2-(4-methylsulfanylphenyl)ethynyl]benzene

Systemtic Name: 1-(3-chloranylcyclopenta-1,4-dien-1-yl)-4-[2-(4-methylsulfanylphenyl)ethynyl]benzene Openeye Name: 1-(3-chlorocyclopenta-1,4-dien-1-yl)-4-[2-(4-methylsulfanylphenyl)ethynyl]benzene CAS Name: 1-(3-chloro-1-cyclopenta-1,4-dienyl)-4-[2-[4-(methylthio)phenyl]ethynyl]benzene IUPAC Name: 1-(3-chlorocyclopenta-1,4-dien-1-yl)-4-[2-(4-methylsulfanylphenyl)ethynyl]benzene Traditional Name: 1-(3-chlorocyclopenta-1,4-dien-1-yl)-4-[2-[4-(methylthio)phenyl]ethynyl]benzene Formula: C20H15ClS MolecularWeight: 322.8511

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC(C=C3)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC(C=C3)Cl

InChI

InChI=1S/C20H15ClS/c1-22-20-12-6-16(7-13-20)3-2-15-4-8-17(9-5-15)18-10-11-19(21)14-18/h4-14,19H,1H3