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

Systemtic Name: 7,8-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)chromen-2-one Openeye Name: 7,8-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)chromen-2-one CAS Name: 7,8-dimethyl-4-[(4-quinazolinylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-(quinazolin-4-ylsulfanylmethyl)chromen-2-one Traditional Name: 7,8-dimethyl-4-[(quinazolin-4-ylthio)methyl]coumarin Formula: C20H16N2O2S MolecularWeight: 348.41824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NC4=CC=CC=C43)C

InChI

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