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

Systemtic Name: 6,7-dimethyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[[4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]coumarin Formula: C17H13F3N2O2S MolecularWeight: 366.35753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=CC(=N3)C(F)(F)F)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NC=CC(=N3)C(F)(F)F)C

InChI

InChI=1S/C17H13F3N2O2S/c1-9-5-12-11(7-15(23)24-13(12)6-10(9)2)8-25-16-21-4-3-14(22-16)17(18,19)20/h3-7H,8H2,1-2H3