6,7-dimethyl-4-[(4-methylphenyl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(4-methylphenyl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-(p-tolylsulfanylmethyl)chromen-2-one CAS Name: 6,7-dimethyl-4-[[(4-methylphenyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(4-methylphenyl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[(p-tolylthio)methyl]coumarin Formula: C19H18O2S MolecularWeight: 310.41002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC(=O)OC3=CC(=C(C=C23)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

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