2-(1,3-benzothiazol-2-yl)-2-(6-chloranyl-5-nitro-pyrimidin-4-yl)ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(6-chloranyl-5-nitro-pyrimidin-4-yl)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(6-chloro-5-nitro-pyrimidin-4-yl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(6-chloro-5-nitro-4-pyrimidinyl)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(6-chloro-5-nitropyrimidin-4-yl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(6-chloro-5-nitro-pyrimidin-4-yl)acetonitrile Formula: C13H6ClN5O2S MolecularWeight: 331.73704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=C(C(=NC=N3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=C(C(=NC=N3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H6ClN5O2S/c14-12-11(19(20)21)10(16-6-17-12)7(5-15)13-18-8-3-1-2-4-9(8)22-13/h1-4,6-7H