2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]amino]benzoate Openeye Name: 2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[2-[(2-chlorophenyl)methylthio]-6-methyl-4-pyrimidinyl]amino]benzoate IUPAC Name: 2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[2-[(2-chlorobenzyl)thio]-6-methyl-pyrimidin-4-yl]amino]benzoate Formula: C19H15ClN3O2S- MolecularWeight: 384.8593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2Cl)NC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2Cl)NC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C19H16ClN3O2S/c1-12-10-17(22-16-9-5-3-7-14(16)18(24)25)23-19(21-12)26-11-13-6-2-4-8-15(13)20/h2-10H,11H2,1H3,(H,24,25)(H,21,22,23)/p-1