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

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

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