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

Systemtic Name: (3-ethoxy-5-methyl-phenyl) 2-cyano-5-methyl-benzenesulfonate; 2-(methylideneamino)guanidine Openeye Name: (3-ethoxy-5-methyl-phenyl) 2-cyano-5-methyl-benzenesulfonate; 2-(methyleneamino)guanidine CAS Name: 2-cyano-5-methylbenzenesulfonic acid (3-ethoxy-5-methylphenyl) ester; 2-(methyleneamino)guanidine IUPAC Name: (3-ethoxy-5-methylphenyl) 2-cyano-5-methylbenzenesulfonate; 2-(methylideneamino)guanidine Traditional Name: 2-cyano-5-methyl-benzenesulfonic acid (3-ethoxy-5-methyl-phenyl) ester; 2-(methyleneamino)guanidine Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4S.C2H6N4/c1-4-21-15-7-13(3)8-16(10-15)22-23(19,20)17-9-12(2)5-6-14(17)11-18;1-5-6-2(3)4/h5-10H,4H2,1-3H3;1H2,(H4,3,4,6)