methyl N'-(pyridin-3-ylmethyl)-N-thiophen-2-ylsulfonyl-carbamimidothioate

Systemtic Name: methyl N'-(pyridin-3-ylmethyl)-N-thiophen-2-ylsulfonyl-carbamimidothioate Openeye Name: 2-methyl-3-(3-pyridylmethyl)-1-(2-thienylsulfonyl)isothiourea CAS Name: N'-(3-pyridinylmethyl)-N-thiophen-2-ylsulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-(pyridin-3-ylmethyl)-N-thiophen-2-ylsulfonylcarbamimidothioate Traditional Name: 2-methyl-3-(3-pyridylmethyl)-1-(2-thienylsulfonyl)isothiourea Formula: C12H13N3O2S3 MolecularWeight: 327.44552

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CN=CC=C1)NS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CSC(=NCC1=CN=CC=C1)NS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C12H13N3O2S3/c1-18-12(14-9-10-4-2-6-13-8-10)15-20(16,17)11-5-3-7-19-11/h2-8H,9H2,1H3,(H,14,15)