2-[[4-oxidanyl-3,5-di(propan-2-yl)phenyl]methyl]-4-(phenethylamino)-3-sulfanylidene-butanenitrile

Systemtic Name: 2-[[4-oxidanyl-3,5-di(propan-2-yl)phenyl]methyl]-4-(phenethylamino)-3-sulfanylidene-butanenitrile Openeye Name: 2-[(4-hydroxy-3,5-diisopropyl-phenyl)methyl]-4-(phenethylamino)-3-thioxo-butanenitrile CAS Name: 2-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-4-(phenethylamino)-3-sulfanylidenebutanenitrile IUPAC Name: 2-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methyl]-4-(phenethylamino)-3-sulfanylidenebutanenitrile Traditional Name: 2-(4-hydroxy-3,5-diisopropyl-benzyl)-4-(phenethylamino)-3-thioxo-butyronitrile Formula: C25H32N2OS MolecularWeight: 408.59938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1O)C(C)C)CC(C#N)C(=S)CNCCC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=CC(=CC(=C1O)C(C)C)CC(C#N)C(=S)CNCCC2=CC=CC=C2

InChI

InChI=1S/C25H32N2OS/c1-17(2)22-13-20(14-23(18(3)4)25(22)28)12-21(15-26)24(29)16-27-11-10-19-8-6-5-7-9-19/h5-9,13-14,17-18,21,27-28H,10-12,16H2,1-4H3