2-ethanimidoyl-3-oxidanylidene-4-(1-phenethylbenzimidazol-2-yl)sulfanyl-butanenitrile

Systemtic Name: 2-ethanimidoyl-3-oxidanylidene-4-(1-phenethylbenzimidazol-2-yl)sulfanyl-butanenitrile Openeye Name: 2-ethanimidoyl-3-oxo-4-(1-phenethylbenzimidazol-2-yl)sulfanyl-butanenitrile CAS Name: 2-(1-iminoethyl)-3-oxo-4-[(1-phenethyl-2-benzimidazolyl)thio]butanenitrile IUPAC Name: 2-ethanimidoyl-3-oxo-4-(1-phenethylbenzimidazol-2-yl)sulfanylbutanenitrile Traditional Name: 2-acetimidoyl-3-keto-4-[(1-phenethylbenzimidazol-2-yl)thio]butyronitrile Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2N1CCC3=CC=CC=C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2N1CCC3=CC=CC=C3

InChI

InChI=1S/C21H20N4OS/c1-15(23)17(13-22)20(26)14-27-21-24-18-9-5-6-10-19(18)25(21)12-11-16-7-3-2-4-8-16/h2-10,17,23H,11-12,14H2,1H3