N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-2-phenyl-5-thiophen-2-yl-pyrazole-3-carboximidate

Systemtic Name: N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-2-phenyl-5-thiophen-2-yl-pyrazole-3-carboximidate Openeye Name: N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-2-phenyl-5-(2-thienyl)pyrazole-3-carboximidate CAS Name: N-[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]-2-phenyl-5-thiophen-2-yl-3-pyrazolecarboximidate IUPAC Name: N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-2-phenyl-5-thiophen-2-ylpyrazole-3-carboximidate Traditional Name: N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-2-phenyl-5-(2-thienyl)pyrazole-3-carboximidate Formula: C22H21N5O2S2 MolecularWeight: 451.56444

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CSC(=N2)N=C(C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CSC(=N2)N=C(C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5)[O-]

InChI

InChI=1S/C22H21N5O2S2/c28-21(24-22-23-16(15-31-22)14-26-8-10-29-11-9-26)19-13-18(20-7-4-12-30-20)25-27(19)17-5-2-1-3-6-17/h1-7,12-13,15H,8-11,14H2,(H,23,24,28)