4-[[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-chloranyl-3-(trifluoromethyl)phenyl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[4-chloro-3-(trifluoromethyl)phenyl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[4-chloro-3-(trifluoromethyl)phenyl]thio]methyl]-7,8-dimethyl-coumarin Formula: C19H14ClF3O2S MolecularWeight: 398.82647

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=CC(=C(C=C3)Cl)C(F)(F)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=CC(=C(C=C3)Cl)C(F)(F)F)C

InChI

InChI=1S/C19H14ClF3O2S/c1-10-3-5-14-12(7-17(24)25-18(14)11(10)2)9-26-13-4-6-16(20)15(8-13)19(21,22)23/h3-8H,9H2,1-2H3