methyl N'-thiophen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)carbamimidothioate hydrochloride

Systemtic Name: methyl N'-thiophen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)carbamimidothioate hydrochloride Openeye Name: 2-methyl-3-(2-thienylsulfonyl)-1-(1,2,4-triazol-4-yl)isothiourea hydrochloride CAS Name: N'-thiophen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)carbamimidothioic acid methyl ester hydrochloride IUPAC Name: methyl N'-thiophen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)carbamimidothioate hydrochloride Traditional Name: 2-methyl-3-(2-thienylsulfonyl)-1-(1,2,4-triazol-4-yl)isothiourea hydrochloride Formula: C8H10ClN5O2S3 MolecularWeight: 339.8453

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=CS1)NN2C=NN=C2.Cl

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC=CS1)/NN2C=NN=C2.Cl

InChI

InChI=1S/C8H9N5O2S3.ClH/c1-16-8(11-13-5-9-10-6-13)12-18(14,15)7-3-2-4-17-7;/h2-6H,1H3,(H,11,12);1H