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

Systemtic Name: 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(3-nitropyrazol-1-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(3-nitropyrazol-1-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-[(3-nitro-1-pyrazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(3-nitropyrazol-1-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(3-nitropyrazol-1-yl)methylthio]quinazolin-4-one Formula: C20H21N7O3S MolecularWeight: 439.49084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7O3S/c1-14-12-15(2)26(22-14)10-5-9-25-19(28)16-6-3-4-7-17(16)21-20(25)31-13-24-11-8-18(23-24)27(29)30/h3-4,6-8,11-12H,5,9-10,13H2,1-2H3