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

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-butanenitrile Openeye Name: 4-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-3-keto-butyronitrile Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2S/c1-14(23)17(11-22)19(26)13-28-21-24-18-10-6-5-9-16(18)20(27)25(21)12-15-7-3-2-4-8-15/h2-10,17,23H,12-13H2,1H3