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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(5-bromanyl-2-chloranyl-pyrimidin-4-yl)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(5-bromo-2-chloro-pyrimidin-4-yl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(5-bromo-2-chloro-4-pyrimidinyl)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(5-bromo-2-chloropyrimidin-4-yl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(5-bromo-2-chloro-pyrimidin-4-yl)acetonitrile Formula: C13H6BrClN4S MolecularWeight: 365.63554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3Br)Cl

InChI

InChI=1S/C13H6BrClN4S/c14-8-6-17-13(15)19-11(8)7(5-16)12-18-9-3-1-2-4-10(9)20-12/h1-4,6-7H