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

Systemtic Name: 3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-2-[(3-nitropyrazol-1-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-2-[(3-nitropyrazol-1-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[3-(4-chloro-3-methyl-1-pyrazolyl)propyl]-2-[(3-nitro-1-pyrazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-[(3-nitropyrazol-1-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-2-[(3-nitropyrazol-1-yl)methylthio]quinazolin-4-one Formula: C19H18ClN7O3S MolecularWeight: 459.90932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3N=C2SCN4C=CC(=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3N=C2SCN4C=CC(=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN7O3S/c1-13-15(20)11-24(22-13)8-4-9-26-18(28)14-5-2-3-6-16(14)21-19(26)31-12-25-10-7-17(23-25)27(29)30/h2-3,5-7,10-11H,4,8-9,12H2,1H3