4-[(3,4-dimethylphenyl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[(3,4-dimethylphenyl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(3,4-dimethylphenyl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[(3,4-dimethylphenyl)thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(3,4-dimethylphenyl)sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(3,4-dimethylphenyl)thio]methyl]-7,8-dimethyl-coumarin Formula: C20H20O2S MolecularWeight: 324.4366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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