methyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-(2-methylsulfanylphenyl)sulfonyl-carbamimidothioate

Systemtic Name: methyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-(2-methylsulfanylphenyl)sulfonyl-carbamimidothioate Openeye Name: 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-methyl-3-(2-methylsulfanylphenyl)sulfonyl-isothiourea CAS Name: N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-[2-(methylthio)phenyl]sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N'-(2-methylsulfanylphenyl)sulfonylcarbamimidothioate Traditional Name: 1-(4,6-dimethoxy-s-triazin-2-yl)-2-methyl-3-[2-(methylthio)phenyl]sulfonyl-isothiourea Formula: C14H17N5O4S3 MolecularWeight: 415.51088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)NC(=NS(=O)(=O)C2=CC=CC=C2SC)SC)OC

Isomeric SMILES

COC1=NC(=NC(=N1)N/C(=N/S(=O)(=O)C2=CC=CC=C2SC)/SC)OC

InChI

InChI=1S/C14H17N5O4S3/c1-22-12-15-11(16-13(18-12)23-2)17-14(25-4)19-26(20,21)10-8-6-5-7-9(10)24-3/h5-8H,1-4H3,(H,15,16,17,18,19)