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

Systemtic Name: 3-oxidanylidene-4-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-[oxidanyl-[(phenylmethyl)amino]methylidene]butanenitrile Openeye Name: 2-[(benzylamino)-hydroxy-methylene]-4-[3-(4-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 2-[hydroxy-[(phenylmethyl)amino]methylidene]-3-oxo-4-[[4-oxo-3-(4-propan-2-ylphenyl)-2-quinazolinyl]thio]butanenitrile IUPAC Name: 2-[(benzylamino)-hydroxymethylidene]-3-oxo-4-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 3-(benzylamino)-3-hydroxy-2-[2-[(4-keto-3-p-cumenyl-quinazolin-2-yl)thio]acetyl]acrylonitrile Formula: C29H26N4O3S MolecularWeight: 510.60674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C(NCC4=CC=CC=C4)O)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C(NCC4=CC=CC=C4)O)C#N

InChI

InChI=1S/C29H26N4O3S/c1-19(2)21-12-14-22(15-13-21)33-28(36)23-10-6-7-11-25(23)32-29(33)37-18-26(34)24(16-30)27(35)31-17-20-8-4-3-5-9-20/h3-15,19,31,35H,17-18H2,1-2H3