4-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-2-[oxidanyl-[(phenylmethyl)amino]methylidene]butanenitrile

Systemtic Name: 4-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-2-[oxidanyl-[(phenylmethyl)amino]methylidene]butanenitrile Openeye Name: 2-[(benzylamino)-hydroxy-methylene]-4-[3-(4-nitrophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 2-[hydroxy-[(phenylmethyl)amino]methylidene]-4-[[3-(4-nitrophenyl)-4-oxo-2-quinazolinyl]thio]-3-oxobutanenitrile IUPAC Name: 2-[(benzylamino)-hydroxymethylidene]-4-[3-(4-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: 3-(benzylamino)-3-hydroxy-2-[2-[[4-keto-3-(4-nitrophenyl)quinazolin-2-yl]thio]acetyl]acrylonitrile Formula: C26H19N5O5S MolecularWeight: 513.52456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=C(C#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=C(C#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C26H19N5O5S/c27-14-21(24(33)28-15-17-6-2-1-3-7-17)23(32)16-37-26-29-22-9-5-4-8-20(22)25(34)30(26)18-10-12-19(13-11-18)31(35)36/h1-13,28,33H,15-16H2