2-cyanoethyl carbamimidothioate; 4-methylbenzenesulfonic acid

Systemtic Name: 2-cyanoethyl carbamimidothioate; 4-methylbenzenesulfonic acid Openeye Name: 2-(2-cyanoethyl)isothiourea; 4-methylbenzenesulfonic acid CAS Name: carbamimidothioic acid 2-cyanoethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: 2-cyanoethyl carbamimidothioate; 4-methylbenzenesulfonic acid Traditional Name: 2-(2-cyanoethyl)isothiourea; tosylic acid Formula: C11H15N3O3S2 MolecularWeight: 301.3851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C(CSC(=N)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C(CSC(=N)N)C#N

InChI

InChI=1S/C7H8O3S.C4H7N3S/c1-6-2-4-7(5-3-6)11(8,9)10;5-2-1-3-8-4(6)7/h2-5H,1H3,(H,8,9,10);1,3H2,(H3,6,7)