3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[3-(4-chloro-3,5-dimethyl-1-pyrazolyl)propyl]-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-2-[(3-nitrobenzyl)thio]quinazolin-4-one Formula: C23H22ClN5O3S MolecularWeight: 483.97048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C23H22ClN5O3S/c1-15-21(24)16(2)28(26-15)12-6-11-27-22(30)19-9-3-4-10-20(19)25-23(27)33-14-17-7-5-8-18(13-17)29(31)32/h3-5,7-10,13H,6,11-12,14H2,1-2H3