methyl N-(3,4-dichlorophenyl)-N'-methylsulfonyl-carbamimidothioate

Systemtic Name: methyl N-(3,4-dichlorophenyl)-N'-methylsulfonyl-carbamimidothioate Openeye Name: 1-(3,4-dichlorophenyl)-2-methyl-3-methylsulfonyl-isothiourea CAS Name: N-(3,4-dichlorophenyl)-N'-methylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(3,4-dichlorophenyl)-N'-methylsulfonylcarbamimidothioate Traditional Name: 1-(3,4-dichlorophenyl)-3-mesyl-2-methyl-isothiourea Formula: C9H10Cl2N2O2S2 MolecularWeight: 313.2239

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C)NC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CS/C(=N\S(=O)(=O)C)/NC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C9H10Cl2N2O2S2/c1-16-9(13-17(2,14)15)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,13)