2-(1,3-benzothiazol-2-yl)-2-[2-[(1-oxidanidylpyridin-1-ium-3-yl)methoxy]pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[(1-oxidanidylpyridin-1-ium-3-yl)methoxy]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[(1-oxidopyridin-1-ium-3-yl)methoxy]pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[(1-oxido-3-pyridin-1-iumyl)methoxy]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[(1-oxidopyridin-1-ium-3-yl)methoxy]pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[(1-oxidopyridin-1-ium-3-yl)methoxy]pyrimidin-4-yl]acetonitrile Formula: C19H13N5O2S MolecularWeight: 375.40382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)OCC4=C[N+](=CC=C4)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)OCC4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C19H13N5O2S/c20-10-14(18-22-16-5-1-2-6-17(16)27-18)15-7-8-21-19(23-15)26-12-13-4-3-9-24(25)11-13/h1-9,11,14H,12H2