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

Systemtic Name: 3-[[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-methyl-5-[(E)-styryl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-methyl-5-[(E)-styryl]-1,2,4-triazol-3-yl]thio]propionic acid Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)O)C=CC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C14H15N3O2S/c1-17-12(8-7-11-5-3-2-4-6-11)15-16-14(17)20-10-9-13(18)19/h2-8H,9-10H2,1H3,(H,18,19)/b8-7+