3-azanyl-3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-cyano-N-methyl-prop-2-enethioamide

Systemtic Name: 3-azanyl-3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-cyano-N-methyl-prop-2-enethioamide Openeye Name: 3-amino-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-2-cyano-N-methyl-prop-2-enethioamide CAS Name: 3-amino-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-cyano-N-methyl-2-propenethioamide IUPAC Name: 3-amino-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-cyano-N-methylprop-2-enethioamide Traditional Name: 3-amino-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]-2-cyano-N-methyl-thioacrylamide Formula: C15H16ClF3N6S MolecularWeight: 404.84095

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C(=C(N)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)C#N

Isomeric SMILES

CNC(=S)C(=C(N)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)C#N

InChI

InChI=1S/C15H16ClF3N6S/c1-22-14(26)10(7-20)12(21)24-2-4-25(5-3-24)13-11(16)6-9(8-23-13)15(17,18)19/h6,8H,2-5,21H2,1H3,(H,22,26)