N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-pyrazin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-pyrazin-2-yl-piperazine-1-carbothioamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazin-2-yl-piperazine-1-carbothioamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-pyrazinyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carbothioamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyrazin-2-yl-piperazine-1-carbothioamide Formula: C16H15ClF3N5S MolecularWeight: 401.83701

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CN=C2)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=CN=C2)C(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C16H15ClF3N5S/c17-13-2-1-11(9-12(13)16(18,19)20)23-15(26)25-7-5-24(6-8-25)14-10-21-3-4-22-14/h1-4,9-10H,5-8H2,(H,23,26)