4-[(3-fluorophenyl)methylsulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[(3-fluorophenyl)methylsulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(3-fluorophenyl)methylsulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[(3-fluorophenyl)methylthio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(3-fluorophenyl)methylsulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(3-fluorobenzyl)thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C21H21FO2S MolecularWeight: 356.453643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSCC3=CC(=CC=C3)F)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSCC3=CC(=CC=C3)F)C(C)C

InChI

InChI=1S/C21H21FO2S/c1-13(2)18-10-19-16(9-21(23)24-20(19)7-14(18)3)12-25-11-15-5-4-6-17(22)8-15/h4-10,13H,11-12H2,1-3H3