methyl N-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-N'-(phenylsulfonyl)carbamimidothioate

Systemtic Name: methyl N-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-N'-(phenylsulfonyl)carbamimidothioate Openeye Name: 3-(benzenesulfonyl)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-methyl-isothiourea CAS Name: N'-(benzenesulfonyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(benzenesulfonyl)-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]carbamimidothioate Traditional Name: 3-besyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-methyl-isothiourea Formula: C14H12ClF3N4O2S2 MolecularWeight: 424.84889

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=CC=C1)NNC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC=CC=C1)/NNC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C14H12ClF3N4O2S2/c1-25-13(22-26(23,24)10-5-3-2-4-6-10)21-20-12-11(15)7-9(8-19-12)14(16,17)18/h2-8H,1H3,(H,19,20)(H,21,22)