methyl N-cyano-N'-[2-[[3-(phenylcarbonyl)-2H-pyridin-1-yl]sulfanyl]ethyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[2-[[3-(phenylcarbonyl)-2H-pyridin-1-yl]sulfanyl]ethyl]carbamimidothioate Openeye Name: 3-[2-[(3-benzoyl-2H-pyridin-1-yl)sulfanyl]ethyl]-1-cyano-2-methyl-isothiourea CAS Name: N'-[2-[(3-benzoyl-2H-pyridin-1-yl)thio]ethyl]-N-cyanocarbamimidothioic acid methyl ester IUPAC Name: methyl N'-[2-[(3-benzoyl-2H-pyridin-1-yl)sulfanyl]ethyl]-N-cyanocarbamimidothioate Traditional Name: 3-[2-[(3-benzoyl-2H-pyridin-1-yl)thio]ethyl]-1-cyano-2-methyl-isothiourea Formula: C17H18N4OS2 MolecularWeight: 358.48102

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCSN1CC(=CC=C1)C(=O)C2=CC=CC=C2)NC#N

Isomeric SMILES

CSC(=NCCSN1CC(=CC=C1)C(=O)C2=CC=CC=C2)NC#N

InChI

InChI=1S/C17H18N4OS2/c1-23-17(20-13-18)19-9-11-24-21-10-5-8-15(12-21)16(22)14-6-3-2-4-7-14/h2-8,10H,9,11-12H2,1H3,(H,19,20)