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

Systemtic Name: ethyl 2-[[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carbonyl]amino]acetate CAS Name: 2-[[oxo-[1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carbonyl]amino]acetate Traditional Name: 2-[[1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carbonyl]amino]acetic acid ethyl ester Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=C(N(N=N1)C2=CC=CC=C2)CSC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)CNC(=O)C1=C(N(N=N1)C2=CC=CC=C2)CSC3=NC=CC=N3

InChI

InChI=1S/C18H18N6O3S/c1-2-27-15(25)11-21-17(26)16-14(12-28-18-19-9-6-10-20-18)24(23-22-16)13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H,21,26)