4-methylbenzenesulfonic acid; 2-pyridin-2-ylethyl carbamimidothioate

Systemtic Name: 4-methylbenzenesulfonic acid; 2-pyridin-2-ylethyl carbamimidothioate Openeye Name: 4-methylbenzenesulfonic acid; 2-[2-(2-pyridyl)ethyl]isothiourea CAS Name: carbamimidothioic acid 2-(2-pyridinyl)ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 4-methylbenzenesulfonic acid; 2-pyridin-2-ylethyl carbamimidothioate Traditional Name: 2-[2-(2-pyridyl)ethyl]isothiourea; tosylic acid Formula: C15H19N3O3S2 MolecularWeight: 353.45966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=NC(=C1)CCSC(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=NC(=C1)CCSC(=N)N

InChI

InChI=1S/C8H11N3S.C7H8O3S/c9-8(10)12-6-4-7-3-1-2-5-11-7;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5H,4,6H2,(H3,9,10);2-5H,1H3,(H,8,9,10)