3-oxidanylidene-2-[oxidanyl-[(phenylmethyl)amino]methylidene]-4-quinazolin-4-ylsulfanyl-butanenitrile

Systemtic Name: 3-oxidanylidene-2-[oxidanyl-[(phenylmethyl)amino]methylidene]-4-quinazolin-4-ylsulfanyl-butanenitrile Openeye Name: 2-[(benzylamino)-hydroxy-methylene]-3-oxo-4-quinazolin-4-ylsulfanyl-butanenitrile CAS Name: 2-[hydroxy-[(phenylmethyl)amino]methylidene]-3-oxo-4-(4-quinazolinylthio)butanenitrile IUPAC Name: 2-[(benzylamino)-hydroxymethylidene]-3-oxo-4-quinazolin-4-ylsulfanylbutanenitrile Traditional Name: 3-(benzylamino)-3-hydroxy-2-[2-(quinazolin-4-ylthio)acetyl]acrylonitrile Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=C(C#N)C(=O)CSC2=NC=NC3=CC=CC=C32)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=C(C#N)C(=O)CSC2=NC=NC3=CC=CC=C32)O

InChI

InChI=1S/C20H16N4O2S/c21-10-16(19(26)22-11-14-6-2-1-3-7-14)18(25)12-27-20-15-8-4-5-9-17(15)23-13-24-20/h1-9,13,22,26H,11-12H2