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

Systemtic Name: 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-methyl-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-methyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-methyl-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S/c1-18-15(20)13-4-2-3-5-14(13)17-16(18)23-10-11-6-8-12(9-7-11)19(21)22/h2-9H,10H2,1H3