2-[(4-oxidanylidenequinazolin-3-yl)methylsulfanyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4-oxidanylidenequinazolin-3-yl)methylsulfanyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-oxoquinazolin-3-yl)methylsulfanyl]-1H-quinazolin-4-one CAS Name: 2-[(4-oxo-3-quinazolinyl)methylthio]-1H-quinazolin-4-one IUPAC Name: 2-[(4-oxoquinazolin-3-yl)methylsulfanyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-ketoquinazolin-3-yl)methylthio]-1H-quinazolin-4-one Formula: C17H12N4O2S MolecularWeight: 336.36778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)SCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)SCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C17H12N4O2S/c22-15-11-5-1-4-8-14(11)19-17(20-15)24-10-21-9-18-13-7-3-2-6-12(13)16(21)23/h1-9H,10H2,(H,19,20,22)