[3,4-dimethyl-2,5-bis(oxidanyl)phenyl] carbamimidothioate

Systemtic Name: [3,4-dimethyl-2,5-bis(oxidanyl)phenyl] carbamimidothioate Openeye Name: 2-(2,5-dihydroxy-3,4-dimethyl-phenyl)isothiourea CAS Name: carbamimidothioic acid (2,5-dihydroxy-3,4-dimethylphenyl) ester IUPAC Name: (2,5-dihydroxy-3,4-dimethylphenyl) carbamimidothioate Traditional Name: 2-(2,5-dihydroxy-3,4-dimethyl-phenyl)isothiourea Formula: C9H12N2O2S MolecularWeight: 212.26878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1O)SC(=N)N)O)C

Isomeric SMILES

CC1=C(C(=C(C=C1O)SC(=N)N)O)C

InChI

InChI=1S/C9H12N2O2S/c1-4-5(2)8(13)7(3-6(4)12)14-9(10)11/h3,12-13H,1-2H3,(H3,10,11)