2-[6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]ethanenitrile

Systemtic Name: 2-[6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]ethanenitrile Openeye Name: 2-[6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetonitrile CAS Name: 2-[6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetonitrile IUPAC Name: 2-[6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetonitrile Traditional Name: 2-(6-tert-amyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetonitrile Formula: C14H20N2S MolecularWeight: 248.387

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=N2)CC#N

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=N2)CC#N

InChI

InChI=1S/C14H20N2S/c1-4-14(2,3)10-5-6-11-12(9-10)17-13(16-11)7-8-15/h10H,4-7,9H2,1-3H3