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

Systemtic Name: 4-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)-2-oxidanyl-ethyl]sulfanyl-1,2,4-triazol-3-olate Openeye Name: 4-cyclopropyl-5-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]sulfanyl-1,2,4-triazol-3-olate CAS Name: 4-cyclopropyl-5-[[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]thio]-1,2,4-triazol-3-olate IUPAC Name: 4-cyclopropyl-5-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]sulfanyl-1,2,4-triazol-3-olate Traditional Name: 4-cyclopropyl-5-[[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]thio]-1,2,4-triazol-3-olate Formula: C14H16N3O3S- MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CSC2=NN=C(N2C3CC3)[O-])O

Isomeric SMILES

COC1=CC=CC(=C1)[C@@H](CSC2=NN=C(N2C3CC3)[O-])O

InChI

InChI=1S/C14H17N3O3S/c1-20-11-4-2-3-9(7-11)12(18)8-21-14-16-15-13(19)17(14)10-5-6-10/h2-4,7,10,12,18H,5-6,8H2,1H3,(H,15,19)/p-1/t12-/m1/s1