ethyl N'-[3-(aminomethyl)-4-pyrazol-1-yl-phenyl]carbamimidothioate dihydrochloride

Systemtic Name: ethyl N'-[3-(aminomethyl)-4-pyrazol-1-yl-phenyl]carbamimidothioate dihydrochloride Openeye Name: 3-[3-(aminomethyl)-4-pyrazol-1-yl-phenyl]-2-ethyl-isothiourea dihydrochloride CAS Name: N'-[3-(aminomethyl)-4-(1-pyrazolyl)phenyl]carbamimidothioic acid ethyl ester dihydrochloride IUPAC Name: ethyl N'-[3-(aminomethyl)-4-pyrazol-1-ylphenyl]carbamimidothioate dihydrochloride Traditional Name: 3-[3-(aminomethyl)-4-pyrazol-1-yl-phenyl]-2-ethyl-isothiourea dihydrochloride Formula: C13H19Cl2N5S MolecularWeight: 348.29446

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC(=C(C=C1)N2C=CC=N2)CN)N.Cl.Cl

Isomeric SMILES

CCSC(=NC1=CC(=C(C=C1)N2C=CC=N2)CN)N.Cl.Cl

InChI

InChI=1S/C13H17N5S.2ClH/c1-2-19-13(15)17-11-4-5-12(10(8-11)9-14)18-7-3-6-16-18;;/h3-8H,2,9,14H2,1H3,(H2,15,17);2*1H