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

Systemtic Name: methyl 4-[[5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[5-chloro-2-(m-tolylmethylsulfanyl)pyrimidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[5-chloro-2-[(3-methylphenyl)methylthio]-4-pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-chloro-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[5-chloro-2-[(3-methylbenzyl)thio]pyrimidine-4-carbonyl]amino]benzoic acid methyl ester Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)C(=O)OC)Cl

InChI

InChI=1S/C21H18ClN3O3S/c1-13-4-3-5-14(10-13)12-29-21-23-11-17(22)18(25-21)19(26)24-16-8-6-15(7-9-16)20(27)28-2/h3-11H,12H2,1-2H3,(H,24,26)