methyl 2-[4-oxidanylidene-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]quinazolin-3-yl]acetate CAS Name: 2-[4-oxo-2-[(1-phenyl-4-pyrazolyl)methylthio]-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[(1-phenylpyrazol-4-yl)methylsulfanyl]quinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-[(1-phenylpyrazol-4-yl)methylthio]quinazolin-3-yl]acetic acid methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3S/c1-28-19(26)13-24-20(27)17-9-5-6-10-18(17)23-21(24)29-14-15-11-22-25(12-15)16-7-3-2-4-8-16/h2-12H,13-14H2,1H3