ethyl N'-[3-(aminomethyl)-2-methyl-4-pyrazol-1-yl-phenyl]carbamimidothioate dihydrochloride

Systemtic Name: ethyl N'-[3-(aminomethyl)-2-methyl-4-pyrazol-1-yl-phenyl]carbamimidothioate dihydrochloride Openeye Name: 3-[3-(aminomethyl)-2-methyl-4-pyrazol-1-yl-phenyl]-2-ethyl-isothiourea dihydrochloride CAS Name: N'-[3-(aminomethyl)-2-methyl-4-(1-pyrazolyl)phenyl]carbamimidothioic acid ethyl ester dihydrochloride IUPAC Name: ethyl N'-[3-(aminomethyl)-2-methyl-4-pyrazol-1-ylphenyl]carbamimidothioate dihydrochloride Traditional Name: 3-[3-(aminomethyl)-2-methyl-4-pyrazol-1-yl-phenyl]-2-ethyl-isothiourea dihydrochloride Formula: C14H21Cl2N5S MolecularWeight: 362.32104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5S.2ClH/c1-3-20-14(16)18-12-5-6-13(11(9-15)10(12)2)19-8-4-7-17-19;;/h4-8H,3,9,15H2,1-2H3,(H2,16,18);2*1H