3-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-nitro-phenyl]-1H-pyridazine-6-thione

Systemtic Name: 3-[2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-nitro-phenyl]-1H-pyridazine-6-thione Openeye Name: 3-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-nitro-phenyl]-1H-pyridazine-6-thione CAS Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-nitrophenyl]-1H-pyridazine-6-thione IUPAC Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-nitrophenyl]-1H-pyridazine-6-thione Traditional Name: 3-[2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-nitro-phenyl]-1H-pyridazine-6-thione Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(C=C(C=C1)[N+](=O)[O-])C2=NNC(=S)C=C2)O

Isomeric SMILES

CC(C)(C)NCC(COC1=C(C=C(C=C1)[N+](=O)[O-])C2=NNC(=S)C=C2)O

InChI

InChI=1S/C17H22N4O4S/c1-17(2,3)18-9-12(22)10-25-15-6-4-11(21(23)24)8-13(15)14-5-7-16(26)20-19-14/h4-8,12,18,22H,9-10H2,1-3H3,(H,20,26)