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

Systemtic Name: 7-oxidanyl-4-(quinazolin-4-ylsulfanylmethyl)chromen-2-one Openeye Name: 7-hydroxy-4-(quinazolin-4-ylsulfanylmethyl)chromen-2-one CAS Name: 7-hydroxy-4-[(4-quinazolinylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-(quinazolin-4-ylsulfanylmethyl)chromen-2-one Traditional Name: 7-hydroxy-4-[(quinazolin-4-ylthio)methyl]coumarin Formula: C18H12N2O3S MolecularWeight: 336.36448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C18H12N2O3S/c21-12-5-6-13-11(7-17(22)23-16(13)8-12)9-24-18-14-3-1-2-4-15(14)19-10-20-18/h1-8,10,21H,9H2