N-(2,5-diphenylpyrazol-3-yl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,5-diphenylpyrazol-3-yl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,5-diphenylpyrazol-3-yl)-2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,5-diphenyl-3-pyrazolyl)-2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,5-diphenylpyrazol-3-yl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,5-diphenylpyrazol-3-yl)-2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]acetamide Formula: C28H25N5O3S MolecularWeight: 511.5948

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N5O3S/c1-36-17-16-32-27(35)22-14-8-9-15-23(22)29-28(32)37-19-26(34)30-25-18-24(20-10-4-2-5-11-20)31-33(25)21-12-6-3-7-13-21/h2-15,18H,16-17,19H2,1H3,(H,30,34)