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

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-butanenitrile Openeye Name: 2-ethanimidoyl-3-oxo-4-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]butyronitrile Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCC3=CC=CC=C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCC3=CC=CC=C3

InChI

InChI=1S/C23H22N4O2S/c1-16(25)19(14-24)21(28)15-30-23-26-20-12-6-5-11-18(20)22(29)27(23)13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,19,25H,7,10,13,15H2,1H3