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

Systemtic Name: 4-(4-ethylphenyl)-6-ethynyl-2,2-dimethyl-thiochromene Openeye Name: 4-(4-ethylphenyl)-6-ethynyl-2,2-dimethyl-thiochromene CAS Name: 4-(4-ethylphenyl)-6-ethynyl-2,2-dimethyl-1-benzothiopyran IUPAC Name: 4-(4-ethylphenyl)-6-ethynyl-2,2-dimethylthiochromene Traditional Name: 4-(4-ethylphenyl)-6-ethynyl-2,2-dimethyl-thiochromene Formula: C21H20S MolecularWeight: 304.4485

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(SC3=C2C=C(C=C3)C#C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(SC3=C2C=C(C=C3)C#C)(C)C

InChI

InChI=1S/C21H20S/c1-5-15-7-10-17(11-8-15)19-14-21(3,4)22-20-12-9-16(6-2)13-18(19)20/h2,7-14H,5H2,1,3-4H3