methyl N-cyano-N'-[2-[3-(phenylcarbonyl)pyridin-2-yl]sulfanylethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2-[3-(phenylcarbonyl)pyridin-2-yl]sulfanylethyl]carbamimidothioate Openeye Name: 3-[2-[(3-benzoyl-2-pyridyl)sulfanyl]ethyl]-1-cyano-2-methyl-isothiourea CAS Name: N'-[2-[(3-benzoyl-2-pyridinyl)thio]ethyl]-N-cyanocarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[2-(3-benzoylpyridin-2-yl)sulfanylethyl]-N-cyanocarbamimidothioate Traditional Name: 3-[2-[(3-benzoyl-2-pyridyl)thio]ethyl]-1-cyano-2-methyl-isothiourea Formula: C17H16N4OS2 MolecularWeight: 356.46514

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSC1=C(C=CC=N1)C(=O)C2=CC=CC=C2)NC#N

Isomeric SMILES

CSC(=NCCSC1=C(C=CC=N1)C(=O)C2=CC=CC=C2)NC#N

InChI

InChI=1S/C17H16N4OS2/c1-23-17(21-12-18)20-10-11-24-16-14(8-5-9-19-16)15(22)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,20,21)