methanesulfonic acid; 2-pyridin-4-ylethyl carbamimidothioate

Systemtic Name: methanesulfonic acid; 2-pyridin-4-ylethyl carbamimidothioate Openeye Name: methanesulfonic acid; 2-[2-(4-pyridyl)ethyl]isothiourea CAS Name: carbamimidothioic acid 2-pyridin-4-ylethyl ester; methanesulfonic acid IUPAC Name: methanesulfonic acid; 2-pyridin-4-ylethyl carbamimidothioate Traditional Name: mesylic acid; 2-[2-(4-pyridyl)ethyl]isothiourea Formula: C9H15N3O3S2 MolecularWeight: 277.3637

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CN=CC=C1CCSC(=N)N

Isomeric SMILES

CS(=O)(=O)O.C1=CN=CC=C1CCSC(=N)N

InChI

InChI=1S/C8H11N3S.CH4O3S/c9-8(10)12-6-3-7-1-4-11-5-2-7;1-5(2,3)4/h1-2,4-5H,3,6H2,(H3,9,10);1H3,(H,2,3,4)