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

Systemtic Name: methyl 2-[4-oxidanylidene-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-3-yl]acetate CAS Name: 2-[4-oxo-2-[[4-(1-pyrazolyl)phenyl]methylthio]-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-[(4-pyrazol-1-ylbenzyl)thio]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=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)N4C=CC=N4

InChI

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