1-[6-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-piperazine

Systemtic Name: 1-[6-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-piperazine Openeye Name: 1-[6-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-2-pyridyl]-3-methyl-piperazine CAS Name: 1-[6-[(2-chlorophenyl)methylthio]-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperazine IUPAC Name: 1-[6-[(2-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridin-2-yl]-3-methylpiperazine Traditional Name: 1-[6-[(2-chlorobenzyl)thio]-5-(trifluoromethyl)-2-pyridyl]-3-methyl-piperazine Formula: C18H19ClF3N3S MolecularWeight: 401.87677

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=NC(=C(C=C2)C(F)(F)F)SCC3=CC=CC=C3Cl

Isomeric SMILES

CC1CN(CCN1)C2=NC(=C(C=C2)C(F)(F)F)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C18H19ClF3N3S/c1-12-10-25(9-8-23-12)16-7-6-14(18(20,21)22)17(24-16)26-11-13-4-2-3-5-15(13)19/h2-7,12,23H,8-11H2,1H3