N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-4-(pyridin-3-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-4-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-4-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-4-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]-4-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C21H22ClFN6S MolecularWeight: 444.955983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=S)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=S)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H22ClFN6S/c22-18-4-1-5-19(23)17(18)15-29-8-6-20(26-29)25-21(30)28-11-9-27(10-12-28)14-16-3-2-7-24-13-16/h1-8,13H,9-12,14-15H2,(H,25,26,30)