6-ethynyl-2,2-dimethyl-4-(4-methylphenyl)thiochromene

Systemtic Name: 6-ethynyl-2,2-dimethyl-4-(4-methylphenyl)thiochromene Openeye Name: 6-ethynyl-2,2-dimethyl-4-(p-tolyl)thiochromene CAS Name: 6-ethynyl-2,2-dimethyl-4-(4-methylphenyl)-1-benzothiopyran IUPAC Name: 6-ethynyl-2,2-dimethyl-4-(4-methylphenyl)thiochromene Traditional Name: 6-ethynyl-2,2-dimethyl-4-(p-tolyl)thiochromene Formula: C20H18S MolecularWeight: 290.42192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(SC3=C2C=C(C=C3)C#C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(SC3=C2C=C(C=C3)C#C)(C)C

InChI

InChI=1S/C20H18S/c1-5-15-8-11-19-17(12-15)18(13-20(3,4)21-19)16-9-6-14(2)7-10-16/h1,6-13H,2-4H3