2-(pyridin-4-ylmethylamino)pyridine-3-carbothioamide

Systemtic Name: 2-(pyridin-4-ylmethylamino)pyridine-3-carbothioamide Openeye Name: 2-(4-pyridylmethylamino)pyridine-3-carbothioamide CAS Name: 2-(pyridin-4-ylmethylamino)-3-pyridinecarbothioamide IUPAC Name: 2-(pyridin-4-ylmethylamino)pyridine-3-carbothioamide Traditional Name: 2-(4-pyridylmethylamino)thionicotinamide Formula: C12H12N4S MolecularWeight: 244.31548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)NCC2=CC=NC=C2)C(=S)N

Isomeric SMILES

C1=CC(=C(N=C1)NCC2=CC=NC=C2)C(=S)N

InChI

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