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

Systemtic Name: 6-chloranyl-7-methyl-4-(pyridin-2-ylsulfanylmethyl)chromen-2-one Openeye Name: 6-chloro-7-methyl-4-(2-pyridylsulfanylmethyl)chromen-2-one CAS Name: 6-chloro-7-methyl-4-[(2-pyridinylthio)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-(pyridin-2-ylsulfanylmethyl)chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[(2-pyridylthio)methyl]coumarin Formula: C16H12ClNO2S MolecularWeight: 317.78998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClNO2S/c1-10-6-14-12(8-13(10)17)11(7-16(19)20-14)9-21-15-4-2-3-5-18-15/h2-8H,9H2,1H3