2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-chloranyl-3-oxidanylidene-butanenitrile

Systemtic Name: 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-chloranyl-3-oxidanylidene-butanenitrile Openeye Name: 2-[4-(1-adamantyl)thiazol-2-yl]-4-chloro-3-oxo-butanenitrile CAS Name: 2-[4-(1-adamantyl)-2-thiazolyl]-4-chloro-3-oxobutanenitrile IUPAC Name: 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-chloro-3-oxobutanenitrile Traditional Name: 2-[4-(1-adamantyl)thiazol-2-yl]-4-chloro-3-keto-butyronitrile Formula: C17H19ClN2OS MolecularWeight: 334.86356

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)C(C#N)C(=O)CCl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)C(C#N)C(=O)CCl

InChI

InChI=1S/C17H19ClN2OS/c18-7-14(21)13(8-19)16-20-15(9-22-16)17-4-10-1-11(5-17)3-12(2-10)6-17/h9-13H,1-7H2