[4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]phenyl] 4-methylbenzoate bromide

Systemtic Name: [4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]phenyl] 4-methylbenzoate bromide Openeye Name: [4-[2-(2-propyl-4-pyridyl)thiazol-4-yl]phenyl] 4-methylbenzoate bromide CAS Name: 4-methylbenzoic acid [4-[2-(2-propyl-4-pyridinyl)-4-thiazolyl]phenyl] ester bromide IUPAC Name: [4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]phenyl] 4-methylbenzoate bromide Traditional Name: 4-methylbenzoic acid [4-[2-(2-propyl-4-pyridyl)thiazol-4-yl]phenyl] ester bromide Formula: C25H22BrN2O2S- MolecularWeight: 494.42338

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)C.[Br-]

Isomeric SMILES

CCCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)C.[Br-]

InChI

InChI=1S/C25H22N2O2S.BrH/c1-3-4-21-15-20(13-14-26-21)24-27-23(16-30-24)18-9-11-22(12-10-18)29-25(28)19-7-5-17(2)6-8-19;/h5-16H,3-4H2,1-2H3;1H/p-1