methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate

Systemtic Name: methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate Openeye Name: 2-methyl-3-(p-tolylsulfonyl)isothiourea CAS Name: N'-(4-methylphenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate Traditional Name: 2-methyl-3-tosyl-isothiourea Formula: C9H12N2O2S2 MolecularWeight: 244.33378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(N)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\N)/SC

InChI

InChI=1S/C9H12N2O2S2/c1-7-3-5-8(6-4-7)15(12,13)11-9(10)14-2/h3-6H,1-2H3,(H2,10,11)