2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethyl N-cyano-N'-methyl-carbamimidothioate

Systemtic Name: 2-[(3-chloranylpyridin-2-yl)methylsulfanyl]ethyl N-cyano-N'-methyl-carbamimidothioate Openeye Name: 2-[2-[(3-chloro-2-pyridyl)methylsulfanyl]ethyl]-1-cyano-3-methyl-isothiourea CAS Name: N-cyano-N'-methylcarbamimidothioic acid 2-[(3-chloro-2-pyridinyl)methylthio]ethyl ester IUPAC Name: 2-[(3-chloropyridin-2-yl)methylsulfanyl]ethyl N-cyano-N'-methylcarbamimidothioate Traditional Name: 2-[2-[(3-chloro-2-pyridyl)methylthio]ethyl]-1-cyano-3-methyl-isothiourea Formula: C11H13ClN4S2 MolecularWeight: 300.83072

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)SCCSCC1=C(C=CC=N1)Cl

Isomeric SMILES

CN=C(NC#N)SCCSCC1=C(C=CC=N1)Cl

InChI

InChI=1S/C11H13ClN4S2/c1-14-11(16-8-13)18-6-5-17-7-10-9(12)3-2-4-15-10/h2-4H,5-7H2,1H3,(H,14,16)