(3S)-3-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid

Systemtic Name: (3S)-3-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid Openeye Name: (3S)-3-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid CAS Name: (3S)-3-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-ylthio)propanoic acid IUPAC Name: (3S)-3-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanoic acid Traditional Name: (3S)-3-(4-methoxyphenyl)-3-(1H-1,2,4-triazol-5-ylthio)propionic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)O)SC2=NC=NN2

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC(=O)O)SC2=NC=NN2

InChI

InChI=1S/C12H13N3O3S/c1-18-9-4-2-8(3-5-9)10(6-11(16)17)19-12-13-7-14-15-12/h2-5,7,10H,6H2,1H3,(H,16,17)(H,13,14,15)/t10-/m0/s1