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

Systemtic Name: 4-[(2,5-dimethylphenyl)sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[(2,5-dimethylphenyl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[(2,5-dimethylphenyl)thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(2,5-dimethylphenyl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[(2,5-dimethylphenyl)thio]methyl]-7-methyl-coumarin Formula: C19H18O2S MolecularWeight: 310.41002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C19H18O2S/c1-12-5-7-16-15(10-19(20)21-17(16)8-12)11-22-18-9-13(2)4-6-14(18)3/h4-10H,11H2,1-3H3