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

Systemtic Name: 3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-2-[(3-nitropyrazol-1-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-2-[(3-nitropyrazol-1-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[3-(4-chloro-3,5-dimethyl-1-pyrazolyl)propyl]-2-[(3-nitro-1-pyrazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(3-nitropyrazol-1-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-2-[(3-nitropyrazol-1-yl)methylthio]quinazolin-4-one Formula: C20H20ClN7O3S MolecularWeight: 473.9359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCN4C=CC(=N4)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCN4C=CC(=N4)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C20H20ClN7O3S/c1-13-18(21)14(2)27(23-13)10-5-9-26-19(29)15-6-3-4-7-16(15)22-20(26)32-12-25-11-8-17(24-25)28(30)31/h3-4,6-8,11H,5,9-10,12H2,1-2H3