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

Systemtic Name: 2-(4-ethynylphenyl)-5-(1-methylcyclopropyl)-1,3-dithiane Openeye Name: 2-(4-ethynylphenyl)-5-(1-methylcyclopropyl)-1,3-dithiane CAS Name: 2-(4-ethynylphenyl)-5-(1-methylcyclopropyl)-1,3-dithiane IUPAC Name: 2-(4-ethynylphenyl)-5-(1-methylcyclopropyl)-1,3-dithiane Traditional Name: 2-(4-ethynylphenyl)-5-(1-methylcyclopropyl)-1,3-dithiane Formula: C16H18S2 MolecularWeight: 274.44412

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)C2CSC(SC2)C3=CC=C(C=C3)C#C

Isomeric SMILES

CC1(CC1)C2CSC(SC2)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C16H18S2/c1-3-12-4-6-13(7-5-12)15-17-10-14(11-18-15)16(2)8-9-16/h1,4-7,14-15H,8-11H2,2H3