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

Systemtic Name: 7,8-dimethyl-4-[(4-methylphenyl)sulfanylmethyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-(p-tolylsulfanylmethyl)chromen-2-one CAS Name: 7,8-dimethyl-4-[[(4-methylphenyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(4-methylphenyl)sulfanylmethyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[(p-tolylthio)methyl]coumarin Formula: C19H18O2S MolecularWeight: 310.41002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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