3-[2-(4-chloranylpyrazol-1-yl)ethyl]-2-[(3-nitropyrazol-1-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[2-(4-chloranylpyrazol-1-yl)ethyl]-2-[(3-nitropyrazol-1-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[2-(4-chloropyrazol-1-yl)ethyl]-2-[(3-nitropyrazol-1-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[2-(4-chloro-1-pyrazolyl)ethyl]-2-[(3-nitro-1-pyrazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-[2-(4-chloropyrazol-1-yl)ethyl]-2-[(3-nitropyrazol-1-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-[2-(4-chloropyrazol-1-yl)ethyl]-2-[(3-nitropyrazol-1-yl)methylthio]quinazolin-4-one Formula: C17H14ClN7O3S MolecularWeight: 431.85616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCN3C=CC(=N3)[N+](=O)[O-])CCN4C=C(C=N4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCN3C=CC(=N3)[N+](=O)[O-])CCN4C=C(C=N4)Cl

InChI

InChI=1S/C17H14ClN7O3S/c18-12-9-19-22(10-12)7-8-24-16(26)13-3-1-2-4-14(13)20-17(24)29-11-23-6-5-15(21-23)25(27)28/h1-6,9-10H,7-8,11H2