1-[4-[3-[[(3-methylsulfanylphenyl)methylamino]methyl]pyridin-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-[[(3-methylsulfanylphenyl)methylamino]methyl]pyridin-2-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[3-[[(3-methylsulfanylphenyl)methylamino]methyl]-2-pyridyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[3-[[[3-(methylthio)phenyl]methylamino]methyl]-2-pyridinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-[[(3-methylsulfanylphenyl)methylamino]methyl]pyridin-2-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-[[[3-(methylthio)benzyl]amino]methyl]-2-pyridyl]piperazino]ethanone Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=N2)CNCC3=CC(=CC=C3)SC

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=N2)CNCC3=CC(=CC=C3)SC

InChI

InChI=1S/C20H26N4OS/c1-16(25)23-9-11-24(12-10-23)20-18(6-4-8-22-20)15-21-14-17-5-3-7-19(13-17)26-2/h3-8,13,21H,9-12,14-15H2,1-2H3