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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-propan-2-yl-quinazolin-4-one Openeye Name: 3-isopropyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(4-nitrophenyl)methylthio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-propan-2-ylquinazolin-4-one Traditional Name: 3-isopropyl-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C18H17N3O3S MolecularWeight: 355.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S/c1-12(2)20-17(22)15-5-3-4-6-16(15)19-18(20)25-11-13-7-9-14(10-8-13)21(23)24/h3-10,12H,11H2,1-2H3