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

Systemtic Name: 2-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]ethanenitrile Openeye Name: 2-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetonitrile CAS Name: 2-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetonitrile IUPAC Name: 2-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetonitrile Traditional Name: 2-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetonitrile Formula: C13H18N2S MolecularWeight: 234.36042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=N2)CC#N

InChI

InChI=1S/C13H18N2S/c1-13(2,3)9-4-5-10-11(8-9)16-12(15-10)6-7-14/h9H,4-6,8H2,1-3H3/t9-/m0/s1