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

Systemtic Name: 3-[[2-[(3-methylphenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidin-4-yl]carbonylamino]benzoate Openeye Name: 3-[[2-(m-tolylmethylsulfanyl)-5-phenylsulfanyl-pyrimidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[2-[(3-methylphenyl)methylthio]-5-(phenylthio)-4-pyrimidinyl]-oxomethyl]amino]benzoate IUPAC Name: 3-[[2-[(3-methylphenyl)methylsulfanyl]-5-phenylsulfanylpyrimidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[2-[(3-methylbenzyl)thio]-5-(phenylthio)pyrimidine-4-carbonyl]amino]benzoate Formula: C26H20N3O3S2- MolecularWeight: 486.5853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC(=C3)C(=O)[O-])SC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC(=C3)C(=O)[O-])SC4=CC=CC=C4

InChI

InChI=1S/C26H21N3O3S2/c1-17-7-5-8-18(13-17)16-33-26-27-15-22(34-21-11-3-2-4-12-21)23(29-26)24(30)28-20-10-6-9-19(14-20)25(31)32/h2-15H,16H2,1H3,(H,28,30)(H,31,32)/p-1