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

Systemtic Name: 4-cyclopropyl-5-[(2S)-2-oxidanyl-2-(4-propylphenyl)ethyl]sulfanyl-1,2,4-triazol-3-olate Openeye Name: 4-cyclopropyl-5-[(2S)-2-hydroxy-2-(4-propylphenyl)ethyl]sulfanyl-1,2,4-triazol-3-olate CAS Name: 4-cyclopropyl-5-[[(2S)-2-hydroxy-2-(4-propylphenyl)ethyl]thio]-1,2,4-triazol-3-olate IUPAC Name: 4-cyclopropyl-5-[(2S)-2-hydroxy-2-(4-propylphenyl)ethyl]sulfanyl-1,2,4-triazol-3-olate Traditional Name: 4-cyclopropyl-5-[[(2S)-2-hydroxy-2-(4-propylphenyl)ethyl]thio]-1,2,4-triazol-3-olate Formula: C16H20N3O2S- MolecularWeight: 318.4139

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(CSC2=NN=C(N2C3CC3)[O-])O

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@@H](CSC2=NN=C(N2C3CC3)[O-])O

InChI

InChI=1S/C16H21N3O2S/c1-2-3-11-4-6-12(7-5-11)14(20)10-22-16-18-17-15(21)19(16)13-8-9-13/h4-7,13-14,20H,2-3,8-10H2,1H3,(H,17,21)/p-1/t14-/m1/s1