7-methyl-6-propan-2-yl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methyl-6-propan-2-yl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-6-propan-2-yl-4-[[[4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-6-propan-2-yl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]coumarin Formula: C19H17F3N2O2S MolecularWeight: 394.41069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=CC(=N3)C(F)(F)F)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=CC(=N3)C(F)(F)F)C(C)C

InChI

InChI=1S/C19H17F3N2O2S/c1-10(2)13-8-14-12(7-17(25)26-15(14)6-11(13)3)9-27-18-23-5-4-16(24-18)19(20,21)22/h4-8,10H,9H2,1-3H3