2-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3-thiazol-2-yl]methyl-methyl-amino]ethanenitrile

Systemtic Name: 2-[[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1,3-thiazol-2-yl]methyl-methyl-amino]ethanenitrile Openeye Name: 2-[[4-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazol-2-yl]methyl-methyl-amino]acetonitrile CAS Name: 2-[[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-thiazolyl]methyl-methylamino]acetonitrile IUPAC Name: 2-[[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]acetonitrile Traditional Name: 2-[[4-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazol-2-yl]methyl-methyl-amino]acetonitrile Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=N2)CN(C)CC#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=N2)CN(C)CC#N

InChI

InChI=1S/C21H29N3OS/c1-20(2,3)15-10-14(11-16(19(15)25)21(4,5)6)17-13-26-18(23-17)12-24(7)9-8-22/h10-11,13,25H,9,12H2,1-7H3