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

Systemtic Name: (3-ethoxy-5-methyl-phenyl) 3-cyanobenzenesulfonate; 2-(methylideneamino)guanidine Openeye Name: (3-ethoxy-5-methyl-phenyl) 3-cyanobenzenesulfonate; 2-(methyleneamino)guanidine CAS Name: 3-cyanobenzenesulfonic acid (3-ethoxy-5-methylphenyl) ester; 2-(methyleneamino)guanidine IUPAC Name: (3-ethoxy-5-methylphenyl) 3-cyanobenzenesulfonate; 2-(methylideneamino)guanidine Traditional Name: 3-cyanobenzenesulfonic acid (3-ethoxy-5-methyl-phenyl) ester; 2-(methyleneamino)guanidine Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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