3-(4-nitrophenyl)-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(4-nitrophenyl)-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-(4-nitrophenyl)quinazolin-4-one CAS Name: 3-(4-nitrophenyl)-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-(4-nitrophenyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-3-(4-nitrophenyl)quinazolin-4-one Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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