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

Systemtic Name: 3-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-methylsulfanyl-1,2-thiazole-4-carbonitrile Openeye Name: 3-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-methylsulfanyl-isothiazole-4-carbonitrile CAS Name: 3-[3-(tert-butylamino)-2-hydroxypropoxy]-5-(methylthio)-4-isothiazolecarbonitrile IUPAC Name: 3-[3-(tert-butylamino)-2-hydroxypropoxy]-5-methylsulfanyl-1,2-thiazole-4-carbonitrile Traditional Name: 3-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-(methylthio)isothiazole-4-carbonitrile Formula: C12H19N3O2S2 MolecularWeight: 301.42816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=NSC(=C1C#N)SC)O

Isomeric SMILES

CC(C)(C)NCC(COC1=NSC(=C1C#N)SC)O

InChI

InChI=1S/C12H19N3O2S2/c1-12(2,3)14-6-8(16)7-17-10-9(5-13)11(18-4)19-15-10/h8,14,16H,6-7H2,1-4H3