2-[(3-chlorophenyl)methylsulfanyl]pyridine-4-carbothioamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]pyridine-4-carbothioamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]pyridine-4-carbothioamide CAS Name: 2-[(3-chlorophenyl)methylthio]-4-pyridinecarbothioamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]pyridine-4-carbothioamide Traditional Name: 2-[(3-chlorobenzyl)thio]thioisonicotinamide Formula: C13H11ClN2S2 MolecularWeight: 294.82284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2S2/c14-11-3-1-2-9(6-11)8-18-12-7-10(13(15)17)4-5-16-12/h1-7H,8H2,(H2,15,17)