2-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-3-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-yl]butanenitrile

Systemtic Name: 2-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-3-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-yl]butanenitrile Openeye Name: 4-(4-benzyl-1-piperidyl)-2-[4-(4-bromophenyl)-3H-thiazol-2-ylidene]-3-oxo-butanenitrile CAS Name: 2-[4-(4-bromophenyl)-3H-thiazol-2-ylidene]-3-oxo-4-[4-(phenylmethyl)-1-piperidinyl]butanenitrile IUPAC Name: 4-(4-benzylpiperidin-1-yl)-2-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-3-oxobutanenitrile Traditional Name: 4-(4-benzylpiperidino)-2-[4-(4-bromophenyl)-4-thiazolin-2-ylidene]-3-keto-butyronitrile Formula: C25H24BrN3OS MolecularWeight: 494.44656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CC(=O)C(=C3NC(=CS3)C4=CC=C(C=C4)Br)C#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CC(=O)C(=C3NC(=CS3)C4=CC=C(C=C4)Br)C#N

InChI

InChI=1S/C25H24BrN3OS/c26-21-8-6-20(7-9-21)23-17-31-25(28-23)22(15-27)24(30)16-29-12-10-19(11-13-29)14-18-4-2-1-3-5-18/h1-9,17,19,28H,10-14,16H2