6-ethynyl-7-methoxy-2,2-dimethyl-4-(4-methylphenyl)thiochromene

Systemtic Name: 6-ethynyl-7-methoxy-2,2-dimethyl-4-(4-methylphenyl)thiochromene Openeye Name: 6-ethynyl-7-methoxy-2,2-dimethyl-4-(p-tolyl)thiochromene CAS Name: 6-ethynyl-7-methoxy-2,2-dimethyl-4-(4-methylphenyl)-1-benzothiopyran IUPAC Name: 6-ethynyl-7-methoxy-2,2-dimethyl-4-(4-methylphenyl)thiochromene Traditional Name: 6-ethynyl-7-methoxy-2,2-dimethyl-4-(p-tolyl)thiochromene Formula: C21H20OS MolecularWeight: 320.4479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20OS/c1-6-15-11-17-18(16-9-7-14(2)8-10-16)13-21(3,4)23-20(17)12-19(15)22-5/h1,7-13H,2-5H3