4-[(2,5-dimethylphenyl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[(2,5-dimethylphenyl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(2,5-dimethylphenyl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[(2,5-dimethylphenyl)thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(2,5-dimethylphenyl)sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(2,5-dimethylphenyl)thio]methyl]-7,8-dimethyl-coumarin Formula: C20H20O2S MolecularWeight: 324.4366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=CC(=O)OC3=C2C=CC(=C3C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=CC(=O)OC3=C2C=CC(=C3C)C

InChI

InChI=1S/C20H20O2S/c1-12-5-6-14(3)18(9-12)23-11-16-10-19(21)22-20-15(4)13(2)7-8-17(16)20/h5-10H,11H2,1-4H3