6,7-dimethyl-4-(phthalazin-1-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 6,7-dimethyl-4-(phthalazin-1-ylsulfanylmethyl)chromen-2-one Openeye Name: 6,7-dimethyl-4-(phthalazin-1-ylsulfanylmethyl)chromen-2-one CAS Name: 6,7-dimethyl-4-[(1-phthalazinylthio)methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-(phthalazin-1-ylsulfanylmethyl)chromen-2-one Traditional Name: 6,7-dimethyl-4-[(phthalazin-1-ylthio)methyl]coumarin Formula: C20H16N2O2S MolecularWeight: 348.41824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=CC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=CC4=CC=CC=C43)C

InChI

InChI=1S/C20H16N2O2S/c1-12-7-17-15(9-19(23)24-18(17)8-13(12)2)11-25-20-16-6-4-3-5-14(16)10-21-22-20/h3-10H,11H2,1-2H3