1-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

Systemtic Name: 1-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: 1-(3-pyridyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: 1-(3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: 1-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: 1-(3-pyridyl)-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C20H17F3N4S MolecularWeight: 402.43599

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CN21)C3=CN=CC=C3)C(=S)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(C(C2=CC=CN21)C3=CN=CC=C3)C(=S)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H17F3N4S/c21-20(22,23)15-5-1-6-16(12-15)25-19(28)27-11-10-26-9-3-7-17(26)18(27)14-4-2-8-24-13-14/h1-9,12-13,18H,10-11H2,(H,25,28)