5-cyclopropyl-2-(4-ethynylphenyl)-1,3-dithiane

Systemtic Name: 5-cyclopropyl-2-(4-ethynylphenyl)-1,3-dithiane Openeye Name: 5-cyclopropyl-2-(4-ethynylphenyl)-1,3-dithiane CAS Name: 5-cyclopropyl-2-(4-ethynylphenyl)-1,3-dithiane IUPAC Name: 5-cyclopropyl-2-(4-ethynylphenyl)-1,3-dithiane Traditional Name: 5-cyclopropyl-2-(4-ethynylphenyl)-1,3-dithiane Formula: C15H16S2 MolecularWeight: 260.41754

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C2SCC(CS2)C3CC3

Isomeric SMILES

C#CC1=CC=C(C=C1)C2SCC(CS2)C3CC3

InChI

InChI=1S/C15H16S2/c1-2-11-3-5-13(6-4-11)15-16-9-14(10-17-15)12-7-8-12/h1,3-6,12,14-15H,7-10H2