ethyl 4-[[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carbonyl]amino]benzoic acid ethyl ester Formula: C23H20N6O3S MolecularWeight: 460.5083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

InChI

InChI=1S/C23H20N6O3S/c1-2-32-22(31)16-9-11-17(12-10-16)26-21(30)20-19(15-33-23-24-13-6-14-25-23)29(28-27-20)18-7-4-3-5-8-18/h3-14H,2,15H2,1H3,(H,26,30)