2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: 2-[4-(4-chlorophenyl)-3H-thiazol-2-ylidene]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-butanenitrile CAS Name: 2-[4-(4-chlorophenyl)-3H-thiazol-2-ylidene]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxobutanenitrile IUPAC Name: 2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxobutanenitrile Traditional Name: 2-[4-(4-chlorophenyl)-4-thiazolin-2-ylidene]-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-butyronitrile Formula: C22H18ClN3OS MolecularWeight: 407.91582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(=O)C(=C3NC(=CS3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(=O)C(=C3NC(=CS3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C22H18ClN3OS/c23-18-7-5-16(6-8-18)20-14-28-22(25-20)19(11-24)21(27)13-26-10-9-15-3-1-2-4-17(15)12-26/h1-8,14,25H,9-10,12-13H2