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

Systemtic Name: 5-(3-methylsulfonylphenyl)-2-(phenylmethyl)-4-propoxy-pyridazin-3-one Openeye Name: 2-benzyl-5-(3-methylsulfonylphenyl)-4-propoxy-pyridazin-3-one CAS Name: 5-(3-methylsulfonylphenyl)-2-(phenylmethyl)-4-propoxy-3-pyridazinone IUPAC Name: 2-benzyl-5-(3-methylsulfonylphenyl)-4-propoxypyridazin-3-one Traditional Name: 2-benzyl-5-(3-mesylphenyl)-4-propoxy-pyridazin-3-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=NN(C1=O)CC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCCOC1=C(C=NN(C1=O)CC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H22N2O4S/c1-3-12-27-20-19(17-10-7-11-18(13-17)28(2,25)26)14-22-23(21(20)24)15-16-8-5-4-6-9-16/h4-11,13-14H,3,12,15H2,1-2H3