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

Systemtic Name: 6-chloranyl-7-methyl-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one Openeye Name: 6-chloro-7-methyl-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one CAS Name: 6-chloro-7-methyl-4-[(2-pyrimidinylthio)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[(2-pyrimidylthio)methyl]coumarin Formula: C15H11ClN2O2S MolecularWeight: 318.77804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClN2O2S/c1-9-5-13-11(7-12(9)16)10(6-14(19)20-13)8-21-15-17-3-2-4-18-15/h2-7H,8H2,1H3