methyl N-(3-chloranyl-4-fluoranyl-phenyl)-N'-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N-(3-chloranyl-4-fluoranyl-phenyl)-N'-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-2-methyl-3-(2-thienylsulfonyl)isothiourea CAS Name: N-(3-chloro-4-fluorophenyl)-N'-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(3-chloro-4-fluorophenyl)-N'-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-2-methyl-3-(2-thienylsulfonyl)isothiourea Formula: C12H10ClFN2O2S3 MolecularWeight: 364.866403

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=CS1)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC=CS1)/NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C12H10ClFN2O2S3/c1-19-12(15-8-4-5-10(14)9(13)7-8)16-21(17,18)11-3-2-6-20-11/h2-7H,1H3,(H,15,16)