2-[(4-aminophenyl)methyl]-5-ethyl-6-(4-methylsulfonylphenyl)-4,5-dihydropyridazin-3-one

Systemtic Name: 2-[(4-aminophenyl)methyl]-5-ethyl-6-(4-methylsulfonylphenyl)-4,5-dihydropyridazin-3-one Openeye Name: 2-[(4-aminophenyl)methyl]-5-ethyl-6-(4-methylsulfonylphenyl)-4,5-dihydropyridazin-3-one CAS Name: 2-[(4-aminophenyl)methyl]-5-ethyl-6-(4-methylsulfonylphenyl)-4,5-dihydropyridazin-3-one IUPAC Name: 2-[(4-aminophenyl)methyl]-5-ethyl-6-(4-methylsulfonylphenyl)-4,5-dihydropyridazin-3-one Traditional Name: 2-(4-aminobenzyl)-5-ethyl-6-(4-mesylphenyl)-4,5-dihydropyridazin-3-one Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)N(N=C1C2=CC=C(C=C2)S(=O)(=O)C)CC3=CC=C(C=C3)N

Isomeric SMILES

CCC1CC(=O)N(N=C1C2=CC=C(C=C2)S(=O)(=O)C)CC3=CC=C(C=C3)N

InChI

InChI=1S/C20H23N3O3S/c1-3-15-12-19(24)23(13-14-4-8-17(21)9-5-14)22-20(15)16-6-10-18(11-7-16)27(2,25)26/h4-11,15H,3,12-13,21H2,1-2H3