phenylsulfonylmethyl N-cyano-N'-methyl-carbamimidothioate

Systemtic Name: phenylsulfonylmethyl N-cyano-N'-methyl-carbamimidothioate Openeye Name: 2-(benzenesulfonylmethyl)-1-cyano-3-methyl-isothiourea CAS Name: N-cyano-N'-methylcarbamimidothioic acid benzenesulfonylmethyl ester IUPAC Name: benzenesulfonylmethyl N-cyano-N'-methylcarbamimidothioate Traditional Name: 2-(besylmethyl)-1-cyano-3-methyl-isothiourea Formula: C10H11N3O2S2 MolecularWeight: 269.34324

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC#N)SCS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CN=C(NC#N)SCS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H11N3O2S2/c1-12-10(13-7-11)16-8-17(14,15)9-5-3-2-4-6-9/h2-6H,8H2,1H3,(H,12,13)