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

Systemtic Name: 6-chloranyl-7-methyl-4-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[[5-(trifluoromethyl)-2-pyridyl]thio]methyl]coumarin Formula: C17H11ClF3NO2S MolecularWeight: 385.78795

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C17H11ClF3NO2S/c1-9-4-14-12(6-13(9)18)10(5-16(23)24-14)8-25-15-3-2-11(7-22-15)17(19,20)21/h2-7H,8H2,1H3