1-(2H-benzotriazol-5-yl)-N-[bis(azanyl)methylidene]-5-ethyl-pyrazole-4-carboxamide hydrate hydrochloride

Systemtic Name: 1-(2H-benzotriazol-5-yl)-N-[bis(azanyl)methylidene]-5-ethyl-pyrazole-4-carboxamide hydrate hydrochloride Openeye Name: 1-(2H-benzotriazol-5-yl)-N-(diaminomethylene)-5-ethyl-pyrazole-4-carboxamide hydrate hydrochloride CAS Name: 1-(2H-benzotriazol-5-yl)-N-(diaminomethylidene)-5-ethyl-4-pyrazolecarboxamide hydrate hydrochloride IUPAC Name: 1-(2H-benzotriazol-5-yl)-N-(diaminomethylidene)-5-ethylpyrazole-4-carboxamide hydrate hydrochloride Traditional Name: 1-(2H-benzotriazol-5-yl)-N-(diaminomethylene)-5-ethyl-pyrazole-4-carboxamide hydrate hydrochloride Formula: C13H17ClN8O2 MolecularWeight: 352.77948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC3=NNN=C3C=C2)C(=O)N=C(N)N.O.Cl

Isomeric SMILES

CCC1=C(C=NN1C2=CC3=NNN=C3C=C2)C(=O)N=C(N)N.O.Cl

InChI

InChI=1S/C13H14N8O.ClH.H2O/c1-2-11-8(12(22)17-13(14)15)6-16-21(11)7-3-4-9-10(5-7)19-20-18-9;;/h3-6H,2H2,1H3,(H,18,19,20)(H4,14,15,17,22);1H;1H2