N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide CAS Name: N-[3-(6-ethylsulfonyl-3-pyridazinyl)phenyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide Traditional Name: 2-(benzylthio)-N-[3-(6-esylpyridazin-3-yl)phenyl]acetamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S2/c1-2-29(26,27)21-12-11-19(23-24-21)17-9-6-10-18(13-17)22-20(25)15-28-14-16-7-4-3-5-8-16/h3-13H,2,14-15H2,1H3,(H,22,25)