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

Systemtic Name: (2Z)-2-(2-azanylpyrimidin-4-yl)-2-(3H-1,3-benzothiazol-2-ylidene)ethanenitrile Openeye Name: (2Z)-2-(2-aminopyrimidin-4-yl)-2-(3H-1,3-benzothiazol-2-ylidene)acetonitrile CAS Name: (2Z)-2-(2-amino-4-pyrimidinyl)-2-(3H-1,3-benzothiazol-2-ylidene)acetonitrile IUPAC Name: (2Z)-2-(2-aminopyrimidin-4-yl)-2-(3H-1,3-benzothiazol-2-ylidene)acetonitrile Traditional Name: (2Z)-2-(2-aminopyrimidin-4-yl)-2-(3H-1,3-benzothiazol-2-ylidene)acetonitrile Formula: C13H9N5S MolecularWeight: 267.30906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C3=NC(=NC=C3)N)S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C(/C#N)\C3=NC(=NC=C3)N)/S2

InChI

InChI=1S/C13H9N5S/c14-7-8(9-5-6-16-13(15)18-9)12-17-10-3-1-2-4-11(10)19-12/h1-6,17H,(H2,15,16,18)/b12-8+