(2E)-2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-ethyl-3H-1,3-thiazol-2-ylidene)ethanenitrile

Systemtic Name: (2E)-2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-ethyl-3H-1,3-thiazol-2-ylidene)ethanenitrile Openeye Name: (2E)-2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-ethyl-3H-thiazol-2-ylidene)acetonitrile CAS Name: (2E)-2-[2-(cyclohexylamino)-4-pyrimidinyl]-2-(4-ethyl-3H-thiazol-2-ylidene)acetonitrile IUPAC Name: (2E)-2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-ethyl-3H-1,3-thiazol-2-ylidene)acetonitrile Traditional Name: (2E)-2-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-ethyl-4-thiazolin-2-ylidene)acetonitrile Formula: C17H21N5S MolecularWeight: 327.44714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(=C(C#N)C2=NC(=NC=C2)NC3CCCCC3)N1

Isomeric SMILES

CCC1=CS/C(=C(/C#N)\C2=NC(=NC=C2)NC3CCCCC3)/N1

InChI

InChI=1S/C17H21N5S/c1-2-12-11-23-16(20-12)14(10-18)15-8-9-19-17(22-15)21-13-6-4-3-5-7-13/h8-9,11,13,20H,2-7H2,1H3,(H,19,21,22)/b16-14-