(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-ylpyrimidin-4-yl)ethanenitrile

Systemtic Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-ylpyrimidin-4-yl)ethanenitrile Openeye Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-(2-morpholinopyrimidin-4-yl)acetonitrile CAS Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(4-morpholinyl)-4-pyrimidinyl]acetonitrile IUPAC Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-ylpyrimidin-4-yl)acetonitrile Traditional Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-(2-morpholinopyrimidin-4-yl)acetonitrile Formula: C17H15N5OS MolecularWeight: 337.3989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=CC(=N2)C(=C3NC4=CC=CC=C4S3)C#N

Isomeric SMILES

C1COCCN1C2=NC=CC(=N2)/C(=C/3\NC4=CC=CC=C4S3)/C#N

InChI

InChI=1S/C17H15N5OS/c18-11-12(16-20-14-3-1-2-4-15(14)24-16)13-5-6-19-17(21-13)22-7-9-23-10-8-22/h1-6,20H,7-10H2/b16-12+