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

Systemtic Name: 2-(5-chloranyl-1,3-benzothiazol-2-yl)ethanenitrile Openeye Name: 2-(5-chloro-1,3-benzothiazol-2-yl)acetonitrile CAS Name: 2-(5-chloro-1,3-benzothiazol-2-yl)acetonitrile IUPAC Name: 2-(5-chloro-1,3-benzothiazol-2-yl)acetonitrile Traditional Name: 2-(5-chloro-1,3-benzothiazol-2-yl)acetonitrile Formula: C9H5ClN2S MolecularWeight: 208.6674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(S2)CC#N

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(S2)CC#N

InChI

InChI=1S/C9H5ClN2S/c10-6-1-2-8-7(5-6)12-9(13-8)3-4-11/h1-2,5H,3H2