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

Systemtic Name: N-(2,5-dimethylpyrazol-3-yl)-2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,5-dimethylpyrazol-3-yl)-2-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,5-dimethyl-3-pyrazolyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,5-dimethylpyrazol-3-yl)-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,5-dimethylpyrazol-3-yl)-2-[(4-keto-3-p-phenetyl-quinazolin-2-yl)thio]acetamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=NN4C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=NN4C)C

InChI

InChI=1S/C23H23N5O3S/c1-4-31-17-11-9-16(10-12-17)28-22(30)18-7-5-6-8-19(18)24-23(28)32-14-21(29)25-20-13-15(2)26-27(20)3/h5-13H,4,14H2,1-3H3,(H,25,29)