5-[(2S)-2-(4-cyanophenyl)-2-oxidanyl-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-olate

Systemtic Name: 5-[(2S)-2-(4-cyanophenyl)-2-oxidanyl-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-olate Openeye Name: 5-[(2S)-2-(4-cyanophenyl)-2-hydroxy-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-olate CAS Name: 5-[[(2S)-2-(4-cyanophenyl)-2-hydroxyethyl]thio]-4-cyclopropyl-1,2,4-triazol-3-olate IUPAC Name: 5-[(2S)-2-(4-cyanophenyl)-2-hydroxyethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-olate Traditional Name: 5-[[(2S)-2-(4-cyanophenyl)-2-hydroxy-ethyl]thio]-4-cyclopropyl-1,2,4-triazol-3-olate Formula: C14H13N4O2S- MolecularWeight: 301.34362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(C3=CC=C(C=C3)C#N)O)[O-]

Isomeric SMILES

C1CC1N2C(=NN=C2SC[C@H](C3=CC=C(C=C3)C#N)O)[O-]

InChI

InChI=1S/C14H14N4O2S/c15-7-9-1-3-10(4-2-9)12(19)8-21-14-17-16-13(20)18(14)11-5-6-11/h1-4,11-12,19H,5-6,8H2,(H,16,20)/p-1/t12-/m1/s1