4-(azepan-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(azepan-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: 4-(azepan-1-yl)-2-(4-methylthiazol-2-yl)-3-oxo-butanenitrile CAS Name: 4-(1-azepanyl)-2-(4-methyl-2-thiazolyl)-3-oxobutanenitrile IUPAC Name: 4-(azepan-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile Traditional Name: 4-(azepan-1-yl)-3-keto-2-(4-methylthiazol-2-yl)butyronitrile Formula: C14H19N3OS MolecularWeight: 277.38516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)CN2CCCCCC2

Isomeric SMILES

CC1=CSC(=N1)C(C#N)C(=O)CN2CCCCCC2

InChI

InChI=1S/C14H19N3OS/c1-11-10-19-14(16-11)12(8-15)13(18)9-17-6-4-2-3-5-7-17/h10,12H,2-7,9H2,1H3