7-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2H-phthalazine-1-thione

Systemtic Name: 7-[3-(tert-butylamino)-2-oxidanyl-propoxy]-2H-phthalazine-1-thione Openeye Name: 7-[3-(tert-butylamino)-2-hydroxy-propoxy]-2H-phthalazine-1-thione CAS Name: 7-[3-(tert-butylamino)-2-hydroxypropoxy]-2H-phthalazine-1-thione IUPAC Name: 7-[3-(tert-butylamino)-2-hydroxypropoxy]-2H-phthalazine-1-thione Traditional Name: 7-[3-(tert-butylamino)-2-hydroxy-propoxy]-2H-phthalazine-1-thione Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC2=C(C=C1)C=NNC2=S)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC2=C(C=C1)C=NNC2=S)O

InChI

InChI=1S/C15H21N3O2S/c1-15(2,3)16-8-11(19)9-20-12-5-4-10-7-17-18-14(21)13(10)6-12/h4-7,11,16,19H,8-9H2,1-3H3,(H,18,21)