4-(5-cyanopyridin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(5-cyanopyridin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(5-cyano-2-pyridyl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-(5-cyano-2-pyridinyl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(5-cyanopyridin-2-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(5-cyano-2-pyridyl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C17H18N6S MolecularWeight: 338.43002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)C(=S)NCC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)C(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C17H18N6S/c18-10-14-3-4-16(20-12-14)22-6-8-23(9-7-22)17(24)21-13-15-2-1-5-19-11-15/h1-5,11-12H,6-9,13H2,(H,21,24)