6-[[5-bromanyl-2-(2-chloranylprop-2-enoxy)phenyl]methyl-ethyl-amino]-4-propylsulfonyl-pyridazine-3-carboxamide

Systemtic Name: 6-[[5-bromanyl-2-(2-chloranylprop-2-enoxy)phenyl]methyl-ethyl-amino]-4-propylsulfonyl-pyridazine-3-carboxamide Openeye Name: 6-[[5-bromo-2-(2-chloroallyloxy)phenyl]methyl-ethyl-amino]-4-propylsulfonyl-pyridazine-3-carboxamide CAS Name: 6-[[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methyl-ethylamino]-4-propylsulfonyl-3-pyridazinecarboxamide IUPAC Name: 6-[[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methyl-ethylamino]-4-propylsulfonylpyridazine-3-carboxamide Traditional Name: 6-[[5-bromo-2-(2-chloroallyloxy)benzyl]-ethyl-amino]-4-propylsulfonyl-pyridazine-3-carboxamide Formula: C20H24BrClN4O4S MolecularWeight: 531.85096

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC(=NN=C1C(=O)N)N(CC)CC2=C(C=CC(=C2)Br)OCC(=C)Cl

Isomeric SMILES

CCCS(=O)(=O)C1=CC(=NN=C1C(=O)N)N(CC)CC2=C(C=CC(=C2)Br)OCC(=C)Cl

InChI

InChI=1S/C20H24BrClN4O4S/c1-4-8-31(28,29)17-10-18(24-25-19(17)20(23)27)26(5-2)11-14-9-15(21)6-7-16(14)30-12-13(3)22/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H2,23,27)