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

Systemtic Name: 2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanenitrile Openeye Name: 2-[4-(4-chlorophenyl)-3H-thiazol-2-ylidene]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile CAS Name: 2-[4-(4-chlorophenyl)-3H-thiazol-2-ylidene]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile IUPAC Name: 2-[4-(4-chlorophenyl)-3H-1,3-thiazol-2-ylidene]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile Traditional Name: 2-[4-(4-chlorophenyl)-4-thiazolin-2-ylidene]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile Formula: C20H16ClN3S MolecularWeight: 365.87914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3S/c21-17-7-5-15(6-8-17)18-13-25-20(23-18)19(11-22)24-10-9-14-3-1-2-4-16(14)12-24/h1-8,13,23H,9-10,12H2