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

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenyl-quinazolin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenyl-quinazolin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-3-phenyl-4-quinazolinone IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-phenylquinazolin-4-one Traditional Name: 2-[(3-nitrobenzyl)thio]-3-phenyl-quinazolin-4-one Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O3S/c25-20-18-11-4-5-12-19(18)22-21(23(20)16-8-2-1-3-9-16)28-14-15-7-6-10-17(13-15)24(26)27/h1-13H,14H2