7-ethyl-4-(quinazolin-4-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 7-ethyl-4-(quinazolin-4-ylsulfanylmethyl)chromen-2-one Openeye Name: 7-ethyl-4-(quinazolin-4-ylsulfanylmethyl)chromen-2-one CAS Name: 7-ethyl-4-[(4-quinazolinylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-(quinazolin-4-ylsulfanylmethyl)chromen-2-one Traditional Name: 7-ethyl-4-[(quinazolin-4-ylthio)methyl]coumarin Formula: C20H16N2O2S MolecularWeight: 348.41824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NC4=CC=CC=C43

InChI

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