2-[4-(chloromethyl)-1,3-benzothiazol-2-yl]ethanenitrile

Systemtic Name: 2-[4-(chloromethyl)-1,3-benzothiazol-2-yl]ethanenitrile Openeye Name: 2-[4-(chloromethyl)-1,3-benzothiazol-2-yl]acetonitrile CAS Name: 2-[4-(chloromethyl)-1,3-benzothiazol-2-yl]acetonitrile IUPAC Name: 2-[4-(chloromethyl)-1,3-benzothiazol-2-yl]acetonitrile Traditional Name: 2-[4-(chloromethyl)-1,3-benzothiazol-2-yl]acetonitrile Formula: C10H7ClN2S MolecularWeight: 222.69398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=N2)CC#N)CCl

Isomeric SMILES

C1=CC(=C2C(=C1)SC(=N2)CC#N)CCl

InChI

InChI=1S/C10H7ClN2S/c11-6-7-2-1-3-8-10(7)13-9(14-8)4-5-12/h1-3H,4,6H2