7-methyl-4-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methyl-4-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[[5-(trifluoromethyl)-2-pyridyl]thio]methyl]coumarin Formula: C17H12F3NO2S MolecularWeight: 351.34289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H12F3NO2S/c1-10-2-4-13-11(7-16(22)23-14(13)6-10)9-24-15-5-3-12(8-21-15)17(18,19)20/h2-8H,9H2,1H3