4-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]methyl]-7-hydroxy-coumarin Formula: C16H9ClF3NO3S MolecularWeight: 387.76077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC(=O)C=C2CSC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC2=C(C=C1O)OC(=O)C=C2CSC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C16H9ClF3NO3S/c17-12-4-9(16(18,19)20)6-21-15(12)25-7-8-3-14(23)24-13-5-10(22)1-2-11(8)13/h1-6,22H,7H2