7-methyl-6-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methyl-6-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-6-propan-2-yl-4-[[[3-(trifluoromethyl)phenyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-6-propan-2-yl-4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]chromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[[3-(trifluoromethyl)phenyl]thio]methyl]coumarin Formula: C21H19F3O2S MolecularWeight: 392.43457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=CC=CC(=C3)C(F)(F)F)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=CC=CC(=C3)C(F)(F)F)C(C)C

InChI

InChI=1S/C21H19F3O2S/c1-12(2)17-10-18-14(8-20(25)26-19(18)7-13(17)3)11-27-16-6-4-5-15(9-16)21(22,23)24/h4-10,12H,11H2,1-3H3