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

Systemtic Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-methyl-(1,3-thiazol-4-ylmethyl)azanium Openeye Name: [4-ethoxycarbonyl-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-methyl-(thiazol-4-ylmethyl)ammonium CAS Name: [4-ethoxycarbonyl-2-(4-phenyl-2-thiazolyl)-3-pyrazolyl]methyl-methyl-(4-thiazolylmethyl)ammonium IUPAC Name: [4-ethoxycarbonyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]methyl-methyl-(1,3-thiazol-4-ylmethyl)azanium Traditional Name: [4-carbethoxy-2-(4-phenylthiazol-2-yl)pyrazol-3-yl]methyl-methyl-(thiazol-4-ylmethyl)ammonium Formula: C21H22N5O2S2+ MolecularWeight: 440.56168

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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[NH+](C)CC4=CSC=N4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=CC=C3)C[NH+](C)CC4=CSC=N4

InChI

InChI=1S/C21H21N5O2S2/c1-3-28-20(27)17-9-23-26(19(17)11-25(2)10-16-12-29-14-22-16)21-24-18(13-30-21)15-7-5-4-6-8-15/h4-9,12-14H,3,10-11H2,1-2H3/p+1