6-chloranyl-7-ethyl-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 6-chloranyl-7-ethyl-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[(2-pyrimidinylthio)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[(2-pyrimidylthio)methyl]coumarin Formula: C16H13ClN2O2S MolecularWeight: 332.80462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=CC=N3)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=CC=N3)Cl

InChI

InChI=1S/C16H13ClN2O2S/c1-2-10-6-14-12(8-13(10)17)11(7-15(20)21-14)9-22-16-18-4-3-5-19-16/h3-8H,2,9H2,1H3