methyl N'-(phenylsulfonyl)-N-[(E)-pyridin-2-ylmethylideneamino]carbamimidothioate

Systemtic Name: methyl N'-(phenylsulfonyl)-N-[(E)-pyridin-2-ylmethylideneamino]carbamimidothioate Openeye Name: 3-(benzenesulfonyl)-2-methyl-1-[(E)-2-pyridylmethyleneamino]isothiourea CAS Name: N'-(benzenesulfonyl)-N-[(E)-2-pyridinylmethylideneamino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(benzenesulfonyl)-N-[(E)-pyridin-2-ylmethylideneamino]carbamimidothioate Traditional Name: 3-besyl-2-methyl-1-[(E)-2-pyridylmethyleneamino]isothiourea Formula: C14H14N4O2S2 MolecularWeight: 334.41656

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=CC=C1)NN=CC2=CC=CC=N2

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC=CC=C1)/N/N=C/C2=CC=CC=N2

InChI

InChI=1S/C14H14N4O2S2/c1-21-14(17-16-11-12-7-5-6-10-15-12)18-22(19,20)13-8-3-2-4-9-13/h2-11H,1H3,(H,17,18)/b16-11+