2-(phenylmethylsulfanyl)pyridine-4-carbothioamide

Systemtic Name: 2-(phenylmethylsulfanyl)pyridine-4-carbothioamide Openeye Name: 2-benzylsulfanylpyridine-4-carbothioamide CAS Name: 2-(phenylmethylthio)-4-pyridinecarbothioamide IUPAC Name: 2-benzylsulfanylpyridine-4-carbothioamide Traditional Name: 2-(benzylthio)thioisonicotinamide Formula: C13H12N2S2 MolecularWeight: 260.37778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=CC(=C2)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=CC(=C2)C(=S)N

InChI

InChI=1S/C13H12N2S2/c14-13(16)11-6-7-15-12(8-11)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,14,16)