(2E)-2-(4-tert-butyl-3H-1,3-thiazol-2-ylidene)-2-(2-chloranylpyrimidin-4-yl)ethanenitrile

Systemtic Name: (2E)-2-(4-tert-butyl-3H-1,3-thiazol-2-ylidene)-2-(2-chloranylpyrimidin-4-yl)ethanenitrile Openeye Name: (2E)-2-(4-tert-butyl-3H-thiazol-2-ylidene)-2-(2-chloropyrimidin-4-yl)acetonitrile CAS Name: (2E)-2-(4-tert-butyl-3H-thiazol-2-ylidene)-2-(2-chloro-4-pyrimidinyl)acetonitrile IUPAC Name: (2E)-2-(4-tert-butyl-3H-1,3-thiazol-2-ylidene)-2-(2-chloropyrimidin-4-yl)acetonitrile Traditional Name: (2E)-2-(4-tert-butyl-4-thiazolin-2-ylidene)-2-(2-chloropyrimidin-4-yl)acetonitrile Formula: C13H13ClN4S MolecularWeight: 292.78712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=C(C#N)C2=NC(=NC=C2)Cl)N1

Isomeric SMILES

CC(C)(C)C1=CS/C(=C(/C#N)\C2=NC(=NC=C2)Cl)/N1

InChI

InChI=1S/C13H13ClN4S/c1-13(2,3)10-7-19-11(18-10)8(6-15)9-4-5-16-12(14)17-9/h4-5,7,18H,1-3H3/b11-8-