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

Systemtic Name: 3-azanyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-amino-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-amino-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-amino-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-amino-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C15H12N4O3S MolecularWeight: 328.34578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C15H12N4O3S/c16-18-14(20)12-3-1-2-4-13(12)17-15(18)23-9-10-5-7-11(8-6-10)19(21)22/h1-8H,9,16H2