2-[(2-nitrophenyl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[(2-nitrophenyl)methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[(2-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(2-nitrophenyl)methylthio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(2-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[(2-nitrobenzyl)thio]quinazolin-4-one Formula: C22H17N3O3S MolecularWeight: 403.45368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O3S/c26-21-18-11-5-6-12-19(18)23-22(24(21)14-16-8-2-1-3-9-16)29-15-17-10-4-7-13-20(17)25(27)28/h1-13H,14-15H2