3-[2-(4-chloranylpyrazol-1-yl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[2-(4-chloranylpyrazol-1-yl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(4-chloropyrazol-1-yl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(4-chloro-1-pyrazolyl)ethyl]-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[2-(4-chloropyrazol-1-yl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[2-(4-chloropyrazol-1-yl)ethyl]-2-[(3-nitrobenzyl)thio]quinazolin-4-one Formula: C20H16ClN5O3S MolecularWeight: 441.89074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CCN4C=C(C=N4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CCN4C=C(C=N4)Cl

InChI

InChI=1S/C20H16ClN5O3S/c21-15-11-22-24(12-15)8-9-25-19(27)17-6-1-2-7-18(17)23-20(25)30-13-14-4-3-5-16(10-14)26(28)29/h1-7,10-12H,8-9,13H2