N-(2,6-diethylphenyl)-2-(4-oxidanylidene-3-pyridin-3-yl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-(4-oxidanylidene-3-pyridin-3-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-oxo-3-(3-pyridyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,6-diethylphenyl)-2-[[4-oxo-3-(3-pyridinyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2,6-diethylphenyl)-2-[[4-keto-3-(3-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4

InChI

InChI=1S/C25H24N4O2S/c1-3-17-9-7-10-18(4-2)23(17)28-22(30)16-32-25-27-21-13-6-5-12-20(21)24(31)29(25)19-11-8-14-26-15-19/h5-15H,3-4,16H2,1-2H3,(H,28,30)