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

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]coumarin Formula: C16H10ClF3N2O2S MolecularWeight: 386.77601

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClF3N2O2S/c1-8-4-12-10(6-11(8)17)9(5-14(23)24-12)7-25-15-21-3-2-13(22-15)16(18,19)20/h2-6H,7H2,1H3