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

Systemtic Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium Openeye Name: [4-ethoxycarbonyl-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-(thiazol-2-ylmethyl)ammonium CAS Name: [4-ethoxycarbonyl-2-(4-phenyl-2-thiazolyl)-3-pyrazolyl]methyl-(2-thiazolylmethyl)ammonium IUPAC Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-(1,3-thiazol-2-ylmethyl)azanium Traditional Name: [4-carbethoxy-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-(thiazol-2-ylmethyl)ammonium Formula: C20H20N5O2S2+ MolecularWeight: 426.5351

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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=NC=CS4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)C[NH2+]CC4=NC=CS4

InChI

InChI=1S/C20H19N5O2S2/c1-2-27-19(26)15-10-23-25(17(15)11-21-12-18-22-8-9-28-18)20-24-16(13-29-20)14-6-4-3-5-7-14/h3-10,13,21H,2,11-12H2,1H3/p+1