2-tert-butylsulfanyl-3-[[4-[(2-fluoranylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine

Systemtic Name: 2-tert-butylsulfanyl-3-[[4-[(2-fluoranylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine Openeye Name: 2-tert-butylsulfanyl-3-[[4-[(2-fluorophenoxy)methyl]-1-piperidyl]methyl]pyrazine CAS Name: 2-(tert-butylthio)-3-[[4-[(2-fluorophenoxy)methyl]-1-piperidinyl]methyl]pyrazine IUPAC Name: 2-tert-butylsulfanyl-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]pyrazine Traditional Name: 2-(tert-butylthio)-3-[[4-[(2-fluorophenoxy)methyl]piperidino]methyl]pyrazine Formula: C21H28FN3OS MolecularWeight: 389.529923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=NC=CN=C1CN2CCC(CC2)COC3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)SC1=NC=CN=C1CN2CCC(CC2)COC3=CC=CC=C3F

InChI

InChI=1S/C21H28FN3OS/c1-21(2,3)27-20-18(23-10-11-24-20)14-25-12-8-16(9-13-25)15-26-19-7-5-4-6-17(19)22/h4-7,10-11,16H,8-9,12-15H2,1-3H3