7,8-dimethyl-4-(pyridin-2-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 7,8-dimethyl-4-(pyridin-2-ylsulfanylmethyl)chromen-2-one Openeye Name: 7,8-dimethyl-4-(2-pyridylsulfanylmethyl)chromen-2-one CAS Name: 7,8-dimethyl-4-[(2-pyridinylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-(pyridin-2-ylsulfanylmethyl)chromen-2-one Traditional Name: 7,8-dimethyl-4-[(2-pyridylthio)methyl]coumarin Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=CC=CC=N3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=CC=CC=N3)C

InChI

InChI=1S/C17H15NO2S/c1-11-6-7-14-13(9-16(19)20-17(14)12(11)2)10-21-15-5-3-4-8-18-15/h3-9H,10H2,1-2H3