2-[(4-butylphenyl)methylsulfanyl]-3-methyl-chromen-4-one

Systemtic Name: 2-[(4-butylphenyl)methylsulfanyl]-3-methyl-chromen-4-one Openeye Name: 2-[(4-butylphenyl)methylsulfanyl]-3-methyl-chromen-4-one CAS Name: 2-[(4-butylphenyl)methylthio]-3-methyl-1-benzopyran-4-one IUPAC Name: 2-[(4-butylphenyl)methylsulfanyl]-3-methylchromen-4-one Traditional Name: 2-[(4-butylbenzyl)thio]-3-methyl-chromone Formula: C21H22O2S MolecularWeight: 338.46318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CSC2=C(C(=O)C3=CC=CC=C3O2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CSC2=C(C(=O)C3=CC=CC=C3O2)C

InChI

InChI=1S/C21H22O2S/c1-3-4-7-16-10-12-17(13-11-16)14-24-21-15(2)20(22)18-8-5-6-9-19(18)23-21/h5-6,8-13H,3-4,7,14H2,1-2H3