N-(2,5-dimethylphenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]acetamide Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

InChI

InChI=1S/C24H22N4O2S/c1-16-9-10-17(2)21(12-16)26-22(29)15-31-24-27-20-8-4-3-7-19(20)23(30)28(24)14-18-6-5-11-25-13-18/h3-13H,14-15H2,1-2H3,(H,26,29)