3-[[5-bromanyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]benzoate

Systemtic Name: 3-[[5-bromanyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]benzoate Openeye Name: 3-[[5-bromo-2-(o-tolylmethylsulfanyl)pyrimidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[5-bromo-2-[(2-methylphenyl)methylthio]-4-pyrimidinyl]-oxomethyl]amino]benzoate IUPAC Name: 3-[[5-bromo-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[5-bromo-2-[(2-methylbenzyl)thio]pyrimidine-4-carbonyl]amino]benzoate Formula: C20H15BrN3O3S- MolecularWeight: 457.3204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC(=C3)C(=O)[O-])Br

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC(=C3)C(=O)[O-])Br

InChI

InChI=1S/C20H16BrN3O3S/c1-12-5-2-3-6-14(12)11-28-20-22-10-16(21)17(24-20)18(25)23-15-8-4-7-13(9-15)19(26)27/h2-10H,11H2,1H3,(H,23,25)(H,26,27)/p-1