[4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-(furan-2-ylmethyl)azanium

Systemtic Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-(furan-2-ylmethyl)azanium Openeye Name: [4-ethoxycarbonyl-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-(2-furylmethyl)ammonium CAS Name: [4-ethoxycarbonyl-2-(4-phenyl-2-thiazolyl)-3-pyrazolyl]methyl-(2-furanylmethyl)ammonium IUPAC Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-(furan-2-ylmethyl)azanium Traditional Name: [4-carbethoxy-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-(2-furfuryl)ammonium Formula: C21H21N4O3S+ MolecularWeight: 409.48144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)C[NH2+]CC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)C[NH2+]CC4=CC=CO4

InChI

InChI=1S/C21H20N4O3S/c1-2-27-20(26)17-12-23-25(19(17)13-22-11-16-9-6-10-28-16)21-24-18(14-29-21)15-7-4-3-5-8-15/h3-10,12,14,22H,2,11,13H2,1H3/p+1