methyl N-(4-cyanophenyl)-N'-methylsulfonyl-carbamimidothioate

Systemtic Name: methyl N-(4-cyanophenyl)-N'-methylsulfonyl-carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-2-methyl-3-methylsulfonyl-isothiourea CAS Name: N-(4-cyanophenyl)-N'-methylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-methylsulfonylcarbamimidothioate Traditional Name: 1-(4-cyanophenyl)-3-mesyl-2-methyl-isothiourea Formula: C10H11N3O2S2 MolecularWeight: 269.34324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C)NC1=CC=C(C=C1)C#N

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O2S2/c1-16-10(13-17(2,14)15)12-9-5-3-8(7-11)4-6-9/h3-6H,1-2H3,(H,12,13)