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2-(1,3-benzothiazol-2-yl)-2-(2-oxidanylidene-1H-pyrimidin-6-yl)ethanenitrile

2-(1,3-benzothiazol-2-yl)-2-(2-oxidanylidene-1H-pyrimidin-6-yl)ethanenitrile

Systemtic Name:2-(1,3-benzothiazol-2-yl)-2-(2-oxidanylidene-1H-pyrimidin-6-yl)ethanenitrile
Openeye Name:2-(1,3-benzothiazol-2-yl)-2-(2-oxo-1H-pyrimidin-6-yl)acetonitrile
CAS Name:2-(1,3-benzothiazol-2-yl)-2-(2-oxo-1H-pyrimidin-6-yl)acetonitrile
IUPAC Name:2-(1,3-benzothiazol-2-yl)-2-(2-oxo-1H-pyrimidin-6-yl)acetonitrile
Traditional Name:2-(1,3-benzothiazol-2-yl)-2-(2-keto-1H-pyrimidin-6-yl)acetonitrile
Formula: C13H8N4OS
MolecularWeight: 268.29382
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=CC=NC(=O)N3


Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=CC=NC(=O)N3


InChI

InChI=1S/C13H8N4OS/c14-7-8(9-5-6-15-13(18)17-9)12-16-10-3-1-2-4-11(10)19-12/h1-6,8H,(H,15,17,18)


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