4-(pyridin-4-ylmethylsulfanyl)pyridine-2-carbothioamide

Systemtic Name: 4-(pyridin-4-ylmethylsulfanyl)pyridine-2-carbothioamide Openeye Name: 4-(4-pyridylmethylsulfanyl)pyridine-2-carbothioamide CAS Name: 4-(pyridin-4-ylmethylthio)-2-pyridinecarbothioamide IUPAC Name: 4-(pyridin-4-ylmethylsulfanyl)pyridine-2-carbothioamide Traditional Name: 4-(4-pyridylmethylthio)thiopicolinamide Formula: C12H11N3S2 MolecularWeight: 261.36584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CSC2=CC(=NC=C2)C(=S)N

Isomeric SMILES

C1=CN=CC=C1CSC2=CC(=NC=C2)C(=S)N

InChI

InChI=1S/C12H11N3S2/c13-12(16)11-7-10(3-6-15-11)17-8-9-1-4-14-5-2-9/h1-7H,8H2,(H2,13,16)