2-[[5-[(E)-2-phenylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(E)-2-phenylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-styryl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(E)-2-phenylethenyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(E)-2-phenylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-styryl]-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=NC(=NN2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=NC(=NN2)SCC(=O)O

InChI

InChI=1S/C12H11N3O2S/c16-11(17)8-18-12-13-10(14-15-12)7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17)(H,13,14,15)/b7-6+