5-(4-methylsulfanylpentyl)-2-(phenylmethyl)-4-propoxy-pyridazin-3-one

Systemtic Name: 5-(4-methylsulfanylpentyl)-2-(phenylmethyl)-4-propoxy-pyridazin-3-one Openeye Name: 2-benzyl-5-(4-methylsulfanylpentyl)-4-propoxy-pyridazin-3-one CAS Name: 5-[4-(methylthio)pentyl]-2-(phenylmethyl)-4-propoxy-3-pyridazinone IUPAC Name: 2-benzyl-5-(4-methylsulfanylpentyl)-4-propoxypyridazin-3-one Traditional Name: 2-benzyl-5-[4-(methylthio)pentyl]-4-propoxy-pyridazin-3-one Formula: C20H28N2O2S MolecularWeight: 360.51352

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=NN(C1=O)CC2=CC=CC=C2)CCCC(C)SC

Isomeric SMILES

CCCOC1=C(C=NN(C1=O)CC2=CC=CC=C2)CCCC(C)SC

InChI

InChI=1S/C20H28N2O2S/c1-4-13-24-19-18(12-8-9-16(2)25-3)14-21-22(20(19)23)15-17-10-6-5-7-11-17/h5-7,10-11,14,16H,4,8-9,12-13,15H2,1-3H3