N-(2-cyanophenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-cyanophenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-cyanophenyl)-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-cyanophenyl)-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-cyanophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2-cyanophenyl)-2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]propionamide Formula: C24H19N5O2S MolecularWeight: 441.50496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4

InChI

InChI=1S/C24H19N5O2S/c1-16(22(30)27-20-10-4-2-8-18(20)13-25)32-24-28-21-11-5-3-9-19(21)23(31)29(24)15-17-7-6-12-26-14-17/h2-12,14,16H,15H2,1H3,(H,27,30)