1,1,2,4-tetraphenylbut-3-yn-2-ylsulfanylmethylbenzene

Systemtic Name: 1,1,2,4-tetraphenylbut-3-yn-2-ylsulfanylmethylbenzene Openeye Name: (1-benzhydryl-1-benzylsulfanyl-3-phenyl-prop-2-ynyl)benzene CAS Name: (1,1,2,4-tetraphenylbut-3-yn-2-ylthio)methylbenzene IUPAC Name: (2-benzylsulfanyl-1,1,4-triphenylbut-3-yn-2-yl)benzene Traditional Name: [1-benzhydryl-1-(benzylthio)-3-phenyl-prop-2-ynyl]benzene Formula: C35H28S MolecularWeight: 480.66182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(C#CC2=CC=CC=C2)(C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC(C#CC2=CC=CC=C2)(C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H28S/c1-6-16-29(17-7-1)26-27-35(33-24-14-5-15-25-33,36-28-30-18-8-2-9-19-30)34(31-20-10-3-11-21-31)32-22-12-4-13-23-32/h1-25,34H,28H2