4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-phenyl-1,3-thiazole-5-carbonitrile

Systemtic Name: 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2-phenyl-1,3-thiazole-5-carbonitrile Openeye Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-phenyl-thiazole-5-carbonitrile CAS Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-phenyl-5-thiazolecarbonitrile IUPAC Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-phenyl-1,3-thiazole-5-carbonitrile Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-2-phenyl-thiazole-5-carbonitrile Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(SC(=N1)C2=CC=CC=C2)C#N)O

Isomeric SMILES

CC(C)(C)NCC(COC1=C(SC(=N1)C2=CC=CC=C2)C#N)O

InChI

InChI=1S/C17H21N3O2S/c1-17(2,3)19-10-13(21)11-22-15-14(9-18)23-16(20-15)12-7-5-4-6-8-12/h4-8,13,19,21H,10-11H2,1-3H3