8-methyl-7-oxidanyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[[4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]coumarin Formula: C16H11F3N2O3S MolecularWeight: 368.33035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC=CC(=N3)C(F)(F)F)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NC=CC(=N3)C(F)(F)F)O

InChI

InChI=1S/C16H11F3N2O3S/c1-8-11(22)3-2-10-9(6-13(23)24-14(8)10)7-25-15-20-5-4-12(21-15)16(17,18)19/h2-6,22H,7H2,1H3