2-[4-(chloromethyl)phenyl]-1,3-benzothiazole-5-carbonitrile

Systemtic Name: 2-[4-(chloromethyl)phenyl]-1,3-benzothiazole-5-carbonitrile Openeye Name: 2-[4-(chloromethyl)phenyl]-1,3-benzothiazole-5-carbonitrile CAS Name: 2-[4-(chloromethyl)phenyl]-1,3-benzothiazole-5-carbonitrile IUPAC Name: 2-[4-(chloromethyl)phenyl]-1,3-benzothiazole-5-carbonitrile Traditional Name: 2-[4-(chloromethyl)phenyl]-1,3-benzothiazole-5-carbonitrile Formula: C15H9ClN2S MolecularWeight: 284.76336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCl)C2=NC3=C(S2)C=CC(=C3)C#N

Isomeric SMILES

C1=CC(=CC=C1CCl)C2=NC3=C(S2)C=CC(=C3)C#N

InChI

InChI=1S/C15H9ClN2S/c16-8-10-1-4-12(5-2-10)15-18-13-7-11(9-17)3-6-14(13)19-15/h1-7H,8H2