4-(2,2-dimethylpropoxy)-1,3-benzothiazole-2-carbonitrile

Systemtic Name: 4-(2,2-dimethylpropoxy)-1,3-benzothiazole-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropoxy)-1,3-benzothiazole-2-carbonitrile CAS Name: 4-(2,2-dimethylpropoxy)-1,3-benzothiazole-2-carbonitrile IUPAC Name: 4-(2,2-dimethylpropoxy)-1,3-benzothiazole-2-carbonitrile Traditional Name: 4-neopentyloxy-1,3-benzothiazole-2-carbonitrile Formula: C13H14N2OS MolecularWeight: 246.32806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC1=C2C(=CC=C1)SC(=N2)C#N

Isomeric SMILES

CC(C)(C)COC1=C2C(=CC=C1)SC(=N2)C#N

InChI

InChI=1S/C13H14N2OS/c1-13(2,3)8-16-9-5-4-6-10-12(9)15-11(7-14)17-10/h4-6H,8H2,1-3H3