4-(2-methylheptan-2-yl)-1,3-benzothiazole

Systemtic Name: 4-(2-methylheptan-2-yl)-1,3-benzothiazole Openeye Name: 4-(1,1-dimethylhexyl)-1,3-benzothiazole CAS Name: 4-(2-methylheptan-2-yl)-1,3-benzothiazole IUPAC Name: 4-(2-methylheptan-2-yl)-1,3-benzothiazole Traditional Name: 4-(1,1-dimethylhexyl)-1,3-benzothiazole Formula: C15H21NS MolecularWeight: 247.39894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=C2C(=CC=C1)SC=N2

Isomeric SMILES

CCCCCC(C)(C)C1=C2C(=CC=C1)SC=N2

InChI

InChI=1S/C15H21NS/c1-4-5-6-10-15(2,3)12-8-7-9-13-14(12)16-11-17-13/h7-9,11H,4-6,10H2,1-3H3