methyl 2-[[3-[2-(4-chloranylpyrazol-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pyrazole-3-carboxylate

Systemtic Name: methyl 2-[[3-[2-(4-chloranylpyrazol-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pyrazole-3-carboxylate Openeye Name: methyl 2-[[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]pyrazole-3-carboxylate CAS Name: 2-[[[3-[2-(4-chloro-1-pyrazolyl)ethyl]-4-oxo-2-quinazolinyl]thio]methyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]pyrazole-3-carboxylate Traditional Name: 2-[[[3-[2-(4-chloropyrazol-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]methyl]pyrazole-3-carboxylic acid methyl ester Formula: C19H17ClN6O3S MolecularWeight: 444.89468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=NN1CSC2=NC3=CC=CC=C3C(=O)N2CCN4C=C(C=N4)Cl

Isomeric SMILES

COC(=O)C1=CC=NN1CSC2=NC3=CC=CC=C3C(=O)N2CCN4C=C(C=N4)Cl

InChI

InChI=1S/C19H17ClN6O3S/c1-29-18(28)16-6-7-21-26(16)12-30-19-23-15-5-3-2-4-14(15)17(27)25(19)9-8-24-11-13(20)10-22-24/h2-7,10-11H,8-9,12H2,1H3