[4-[3-[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]-2-oxidanyl-propoxy]-3-propyl-phenyl]sulfanylmethanoic acid

Systemtic Name: [4-[3-[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]-2-oxidanyl-propoxy]-3-propyl-phenyl]sulfanylmethanoic acid Openeye Name: [4-[3-[(5-chloro-1-isopropyl-6-oxo-pyridazin-4-yl)amino]-2-hydroxy-propoxy]-3-propyl-phenyl]sulfanylformic acid CAS Name: [[4-[3-[(5-chloro-6-oxo-1-propan-2-yl-4-pyridazinyl)amino]-2-hydroxypropoxy]-3-propylphenyl]thio]formic acid IUPAC Name: [4-[3-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-hydroxypropoxy]-3-propylphenyl]sulfanylformic acid Traditional Name: [[4-[3-[(5-chloro-1-isopropyl-6-keto-pyridazin-4-yl)amino]-2-hydroxy-propoxy]-3-propyl-phenyl]thio]formic acid Formula: C20H26ClN3O5S MolecularWeight: 455.95554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)SC(=O)O)OCC(CNC2=C(C(=O)N(N=C2)C(C)C)Cl)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)SC(=O)O)OCC(CNC2=C(C(=O)N(N=C2)C(C)C)Cl)O

InChI

InChI=1S/C20H26ClN3O5S/c1-4-5-13-8-15(30-20(27)28)6-7-17(13)29-11-14(25)9-22-16-10-23-24(12(2)3)19(26)18(16)21/h6-8,10,12,14,22,25H,4-5,9,11H2,1-3H3,(H,27,28)