6-(pyridin-3-ylmethylamino)pyridine-3-carbothioamide

Systemtic Name: 6-(pyridin-3-ylmethylamino)pyridine-3-carbothioamide Openeye Name: 6-(3-pyridylmethylamino)pyridine-3-carbothioamide CAS Name: 6-(3-pyridinylmethylamino)-3-pyridinecarbothioamide IUPAC Name: 6-(pyridin-3-ylmethylamino)pyridine-3-carbothioamide Traditional Name: 6-(3-pyridylmethylamino)thionicotinamide Formula: C12H12N4S MolecularWeight: 244.31548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=NC=C(C=C2)C(=S)N

Isomeric SMILES

C1=CC(=CN=C1)CNC2=NC=C(C=C2)C(=S)N

InChI

InChI=1S/C12H12N4S/c13-12(17)10-3-4-11(16-8-10)15-7-9-2-1-5-14-6-9/h1-6,8H,7H2,(H2,13,17)(H,15,16)