2-(1,3-benzothiazol-2-yl)-2-[2-butoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-butoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-butoxy-5-(1,1,3,3-tetramethylbutyl)phenyl]sulfanyl-acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[[2-butoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]thio]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-butoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanylacetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[[2-butoxy-5-(1,1,3,3-tetramethylbutyl)phenyl]thio]acetonitrile Formula: C27H34N2OS2 MolecularWeight: 466.70166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)SC(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)SC(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C27H34N2OS2/c1-7-8-15-30-21-14-13-19(27(5,6)18-26(2,3)4)16-23(21)31-24(17-28)25-29-20-11-9-10-12-22(20)32-25/h9-14,16,24H,7-8,15,18H2,1-6H3