2-ethanimidoyl-3-oxidanylidene-4-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-butanenitrile

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-butanenitrile Openeye Name: 2-ethanimidoyl-3-oxo-4-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]butyronitrile Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CN=CC=C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CN=CC=C3

InChI

InChI=1S/C20H17N5O2S/c1-13(22)16(9-21)18(26)12-28-20-24-17-7-3-2-6-15(17)19(27)25(20)11-14-5-4-8-23-10-14/h2-8,10,16,22H,11-12H2,1H3