1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxylate CAS Name: 1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxylate IUPAC Name: 1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxylate Traditional Name: 1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxylate Formula: C14H10N5O2S- MolecularWeight: 312.3265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)[O-])CSC3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)[O-])CSC3=NC=CC=N3

InChI

InChI=1S/C14H11N5O2S/c20-13(21)12-11(9-22-14-15-7-4-8-16-14)19(18-17-12)10-5-2-1-3-6-10/h1-8H,9H2,(H,20,21)/p-1