6,7-dimethyl-4-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[[5-(trifluoromethyl)-2-pyridyl]thio]methyl]coumarin Formula: C18H14F3NO2S MolecularWeight: 365.36947

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C18H14F3NO2S/c1-10-5-14-12(7-17(23)24-15(14)6-11(10)2)9-25-16-4-3-13(8-22-16)18(19,20)21/h3-8H,9H2,1-2H3