1-(2-phenylsulfanylethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(2-phenylsulfanylethyl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-(2-phenylsulfanylethyl)triazole-4-carboxylate CAS Name: 1-[2-(phenylthio)ethyl]-4-triazolecarboxylate IUPAC Name: 1-(2-phenylsulfanylethyl)triazole-4-carboxylate Traditional Name: 1-[2-(phenylthio)ethyl]triazole-4-carboxylate Formula: C11H10N3O2S- MolecularWeight: 248.281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCN2C=C(N=N2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCN2C=C(N=N2)C(=O)[O-]

InChI

InChI=1S/C11H11N3O2S/c15-11(16)10-8-14(13-12-10)6-7-17-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,16)/p-1