2-[(4-nitrophenyl)methylsulfanyl]quinazoline-4-thiolate

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]quinazoline-4-thiolate Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]quinazoline-4-thiolate CAS Name: 2-[(4-nitrophenyl)methylthio]-4-quinazolinethiolate IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]quinazoline-4-thiolate Traditional Name: 2-[(4-nitrobenzyl)thio]quinazoline-4-thiolate Formula: C15H10N3O2S2- MolecularWeight: 328.3888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O2S2/c19-18(20)11-7-5-10(6-8-11)9-22-15-16-13-4-2-1-3-12(13)14(21)17-15/h1-8H,9H2,(H,16,17,21)/p-1