4-(dibutylamino)-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile

Systemtic Name: 4-(dibutylamino)-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Openeye Name: 4-(dibutylamino)-3-oxo-2-(4-phenylthiazol-2-yl)butanenitrile CAS Name: 4-(dibutylamino)-3-oxo-2-(4-phenyl-2-thiazolyl)butanenitrile IUPAC Name: 4-(dibutylamino)-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Traditional Name: 4-(dibutylamino)-3-keto-2-(4-phenylthiazol-2-yl)butyronitrile Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC(=O)C(C#N)C1=NC(=CS1)C2=CC=CC=C2

Isomeric SMILES

CCCCN(CCCC)CC(=O)C(C#N)C1=NC(=CS1)C2=CC=CC=C2

InChI

InChI=1S/C21H27N3OS/c1-3-5-12-24(13-6-4-2)15-20(25)18(14-22)21-23-19(16-26-21)17-10-8-7-9-11-17/h7-11,16,18H,3-6,12-13,15H2,1-2H3