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

Systemtic Name: 3-azanyl-3-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-cyano-N-phenyl-prop-2-enethioamide Openeye Name: 3-amino-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-2-cyano-N-phenyl-prop-2-enethioamide CAS Name: 3-amino-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-cyano-N-phenyl-2-propenethioamide IUPAC Name: 3-amino-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-cyano-N-phenylprop-2-enethioamide Traditional Name: 3-amino-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]-2-cyano-N-phenyl-thioacrylamide Formula: C20H18ClF3N6S MolecularWeight: 466.91033

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=C(C#N)C(=S)NC3=CC=CC=C3)N

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=C(C#N)C(=S)NC3=CC=CC=C3)N

InChI

InChI=1S/C20H18ClF3N6S/c21-16-10-13(20(22,23)24)12-27-18(16)30-8-6-29(7-9-30)17(26)15(11-25)19(31)28-14-4-2-1-3-5-14/h1-5,10,12H,6-9,26H2,(H,28,31)