2-(4,6-dimethyl-5-nitro-1,2-benzothiazol-3-yl)ethanenitrile

Systemtic Name: 2-(4,6-dimethyl-5-nitro-1,2-benzothiazol-3-yl)ethanenitrile Openeye Name: 2-(4,6-dimethyl-5-nitro-1,2-benzothiazol-3-yl)acetonitrile CAS Name: 2-(4,6-dimethyl-5-nitro-1,2-benzothiazol-3-yl)acetonitrile IUPAC Name: 2-(4,6-dimethyl-5-nitro-1,2-benzothiazol-3-yl)acetonitrile Traditional Name: 2-(4,6-dimethyl-5-nitro-1,2-benzothiazol-3-yl)acetonitrile Formula: C11H9N3O2S MolecularWeight: 247.27306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1[N+](=O)[O-])C)C(=NS2)CC#N

Isomeric SMILES

CC1=CC2=C(C(=C1[N+](=O)[O-])C)C(=NS2)CC#N

InChI

InChI=1S/C11H9N3O2S/c1-6-5-9-10(7(2)11(6)14(15)16)8(3-4-12)13-17-9/h5H,3H2,1-2H3