N-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]ethanamide

Systemtic Name: N-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]ethanamide Openeye Name: N-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(6-thioxo-1H-pyridazin-3-yl)phenyl]acetamide CAS Name: N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]acetamide IUPAC Name: N-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(6-sulfanylidene-1H-pyridazin-3-yl)phenyl]acetamide Traditional Name: N-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-(6-thioxo-1H-pyridazin-3-yl)phenyl]acetamide Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C2=NNC(=S)C=C2

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C2=NNC(=S)C=C2

InChI

InChI=1S/C19H26N4O3S/c1-12(24)21-13-5-7-17(26-11-14(25)10-20-19(2,3)4)15(9-13)16-6-8-18(27)23-22-16/h5-9,14,20,25H,10-11H2,1-4H3,(H,21,24)(H,23,27)