2-ethyl-5-(2-ethylbutanoyl)-6-(4-methylsulfanylphenyl)-4-(naphthalen-1-ylamino)pyridazin-3-one

Systemtic Name: 2-ethyl-5-(2-ethylbutanoyl)-6-(4-methylsulfanylphenyl)-4-(naphthalen-1-ylamino)pyridazin-3-one Openeye Name: 2-ethyl-5-(2-ethylbutanoyl)-6-(4-methylsulfanylphenyl)-4-(1-naphthylamino)pyridazin-3-one CAS Name: 2-ethyl-5-(2-ethyl-1-oxobutyl)-6-[4-(methylthio)phenyl]-4-(1-naphthalenylamino)-3-pyridazinone IUPAC Name: 2-ethyl-5-(2-ethylbutanoyl)-6-(4-methylsulfanylphenyl)-4-(naphthalen-1-ylamino)pyridazin-3-one Traditional Name: 2-ethyl-5-(2-ethylbutanoyl)-6-[4-(methylthio)phenyl]-4-(1-naphthylamino)pyridazin-3-one Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)C1=C(C(=O)N(N=C1C2=CC=C(C=C2)SC)CC)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCC(CC)C(=O)C1=C(C(=O)N(N=C1C2=CC=C(C=C2)SC)CC)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H31N3O2S/c1-5-19(6-2)28(33)25-26(21-15-17-22(35-4)18-16-21)31-32(7-3)29(34)27(25)30-24-14-10-12-20-11-8-9-13-23(20)24/h8-19,30H,5-7H2,1-4H3