1,4-dimethyl-3-phenyl-1H-isothiochromene

Systemtic Name: 1,4-dimethyl-3-phenyl-1H-isothiochromene Openeye Name: 1,4-dimethyl-3-phenyl-1H-isothiochromene CAS Name: 1,4-dimethyl-3-phenyl-1H-2-benzothiopyran IUPAC Name: 1,4-dimethyl-3-phenyl-1H-isothiochromene Traditional Name: 1,4-dimethyl-3-phenyl-1H-isothiochromene Formula: C17H16S MolecularWeight: 252.37394

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2C(=C(S1)C3=CC=CC=C3)C

Isomeric SMILES

CC1C2=CC=CC=C2C(=C(S1)C3=CC=CC=C3)C

InChI

InChI=1S/C17H16S/c1-12-15-10-6-7-11-16(15)13(2)18-17(12)14-8-4-3-5-9-14/h3-11,13H,1-2H3