(3S)-3-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanoate

Systemtic Name: (3S)-3-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanoate Openeye Name: (3S)-3-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanoate CAS Name: (3S)-3-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylthio)propanoate IUPAC Name: (3S)-3-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanoate Traditional Name: (3S)-3-(4-chlorophenyl)-3-(1H-1,2,4-triazol-5-ylthio)propionate Formula: C11H9ClN3O2S- MolecularWeight: 282.72606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)[O-])SC2=NC=NN2)Cl

Isomeric SMILES

C1=CC(=CC=C1[C@H](CC(=O)[O-])SC2=NC=NN2)Cl

InChI

InChI=1S/C11H10ClN3O2S/c12-8-3-1-7(2-4-8)9(5-10(16)17)18-11-13-6-14-15-11/h1-4,6,9H,5H2,(H,16,17)(H,13,14,15)/p-1/t9-/m0/s1