4-[bis(3-methylbutyl)amino]-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile

Systemtic Name: 4-[bis(3-methylbutyl)amino]-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Openeye Name: 4-(diisopentylamino)-3-oxo-2-(4-phenylthiazol-2-yl)butanenitrile CAS Name: 4-[bis(3-methylbutyl)amino]-3-oxo-2-(4-phenyl-2-thiazolyl)butanenitrile IUPAC Name: 4-[bis(3-methylbutyl)amino]-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Traditional Name: 4-(diisoamylamino)-3-keto-2-(4-phenylthiazol-2-yl)butyronitrile Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CCC(C)C)CC(=O)C(C#N)C1=NC(=CS1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCN(CCC(C)C)CC(=O)C(C#N)C1=NC(=CS1)C2=CC=CC=C2

InChI

InChI=1S/C23H31N3OS/c1-17(2)10-12-26(13-11-18(3)4)15-22(27)20(14-24)23-25-21(16-28-23)19-8-6-5-7-9-19/h5-9,16-18,20H,10-13,15H2,1-4H3