1-[6-methoxy-2-methyl-5-[2-methyl-4-(2-methylsulfanylphenyl)piperazin-1-yl]pyridin-3-yl]ethanone

Systemtic Name: 1-[6-methoxy-2-methyl-5-[2-methyl-4-(2-methylsulfanylphenyl)piperazin-1-yl]pyridin-3-yl]ethanone Openeye Name: 1-[6-methoxy-2-methyl-5-[2-methyl-4-(2-methylsulfanylphenyl)piperazin-1-yl]-3-pyridyl]ethanone CAS Name: 1-[6-methoxy-2-methyl-5-[2-methyl-4-[2-(methylthio)phenyl]-1-piperazinyl]-3-pyridinyl]ethanone IUPAC Name: 1-[6-methoxy-2-methyl-5-[2-methyl-4-(2-methylsulfanylphenyl)piperazin-1-yl]pyridin-3-yl]ethanone Traditional Name: 1-[6-methoxy-2-methyl-5-[2-methyl-4-[2-(methylthio)phenyl]piperazino]-3-pyridyl]ethanone Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=C(N=C(C(=C2)C(=O)C)C)OC)C3=CC=CC=C3SC

Isomeric SMILES

CC1CN(CCN1C2=C(N=C(C(=C2)C(=O)C)C)OC)C3=CC=CC=C3SC

InChI

InChI=1S/C21H27N3O2S/c1-14-13-23(18-8-6-7-9-20(18)27-5)10-11-24(14)19-12-17(16(3)25)15(2)22-21(19)26-4/h6-9,12,14H,10-11,13H2,1-5H3