(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(2-methoxyethylamino)pyrimidin-4-yl]ethanenitrile

Systemtic Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(2-methoxyethylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(2-methoxyethylamino)pyrimidin-4-yl]acetonitrile CAS Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(2-methoxyethylamino)-4-pyrimidinyl]acetonitrile IUPAC Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(2-methoxyethylamino)pyrimidin-4-yl]acetonitrile Traditional Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(2-methoxyethylamino)pyrimidin-4-yl]acetonitrile Formula: C16H15N5OS MolecularWeight: 325.3882

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=CC(=N1)C(=C2NC3=CC=CC=C3S2)C#N

Isomeric SMILES

COCCNC1=NC=CC(=N1)/C(=C/2\NC3=CC=CC=C3S2)/C#N

InChI

InChI=1S/C16H15N5OS/c1-22-9-8-19-16-18-7-6-12(21-16)11(10-17)15-20-13-4-2-3-5-14(13)23-15/h2-7,20H,8-9H2,1H3,(H,18,19,21)/b15-11+