4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-(6-benzimidazolo[1,2-c]quinazolinylthio)-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-(benzimidazolo[1,2-c]quinazolin-6-ylthio)-3-keto-butyronitrile Formula: C20H15N5OS MolecularWeight: 373.431

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C3=NC4=CC=CC=C4N31

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2C3=NC4=CC=CC=C4N31

InChI

InChI=1S/C20H15N5OS/c1-12(22)14(10-21)18(26)11-27-20-24-15-7-3-2-6-13(15)19-23-16-8-4-5-9-17(16)25(19)20/h2-9,14,22H,11H2,1H3