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

Systemtic Name: 3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[3-(4-chloro-3-methyl-1-pyrazolyl)propyl]-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-2-[(3-nitrobenzyl)thio]quinazolin-4-one Formula: C22H20ClN5O3S MolecularWeight: 469.9439

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20ClN5O3S/c1-15-19(23)13-26(25-15)10-5-11-27-21(29)18-8-2-3-9-20(18)24-22(27)32-14-16-6-4-7-17(12-16)28(30)31/h2-4,6-9,12-13H,5,10-11,14H2,1H3