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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(2-chloranyl-5-methyl-pyrimidin-4-yl)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(2-chloro-5-methyl-pyrimidin-4-yl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(2-chloro-5-methyl-4-pyrimidinyl)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(2-chloro-5-methylpyrimidin-4-yl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(2-chloro-5-methyl-pyrimidin-4-yl)acetonitrile Formula: C14H9ClN4S MolecularWeight: 300.76606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C(C#N)C2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=CN=C(N=C1C(C#N)C2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C14H9ClN4S/c1-8-7-17-14(15)19-12(8)9(6-16)13-18-10-4-2-3-5-11(10)20-13/h2-5,7,9H,1H3