(2R)-4-(1-adamantyl)-2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-4-(1-adamantyl)-2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: (2R)-4-(1-adamantyl)-2-(1,3-benzothiazol-2-yl)-3-oxo-butanenitrile CAS Name: (2R)-4-(1-adamantyl)-2-(1,3-benzothiazol-2-yl)-3-oxobutanenitrile IUPAC Name: (2R)-4-(1-adamantyl)-2-(1,3-benzothiazol-2-yl)-3-oxobutanenitrile Traditional Name: (2R)-4-(1-adamantyl)-2-(1,3-benzothiazol-2-yl)-3-keto-butyronitrile Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)C(C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)[C@@H](C#N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H22N2OS/c22-12-16(20-23-17-3-1-2-4-19(17)25-20)18(24)11-21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,13-16H,5-11H2/t13?,14?,15?,16-,21?/m1/s1