(3-ethoxy-5-methyl-phenyl) 2-cyanobenzenesulfonate; 2-(methylideneamino)guanidine; hydrochloride

Systemtic Name: (3-ethoxy-5-methyl-phenyl) 2-cyanobenzenesulfonate; 2-(methylideneamino)guanidine; hydrochloride Openeye Name: (3-ethoxy-5-methyl-phenyl) 2-cyanobenzenesulfonate; 2-(methyleneamino)guanidine; hydrochloride CAS Name: 2-cyanobenzenesulfonic acid (3-ethoxy-5-methylphenyl) ester; 2-(methyleneamino)guanidine; hydrochloride IUPAC Name: (3-ethoxy-5-methylphenyl) 2-cyanobenzenesulfonate; 2-(methylideneamino)guanidine; hydrochloride Traditional Name: 2-cyanobenzenesulfonic acid (3-ethoxy-5-methyl-phenyl) ester; 2-(methyleneamino)guanidine; hydrochloride Formula: C18H22ClN5O4S MolecularWeight: 439.91638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2C#N.C=NN=C(N)N.Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2C#N.C=NN=C(N)N.Cl

InChI

InChI=1S/C16H15NO4S.C2H6N4.ClH/c1-3-20-14-8-12(2)9-15(10-14)21-22(18,19)16-7-5-4-6-13(16)11-17;1-5-6-2(3)4;/h4-10H,3H2,1-2H3;1H2,(H4,3,4,6);1H