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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NNC(=N1)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OC)SC1=NNC(=N1)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C14H15N3O2S/c1-10(13(18)19-2)20-14-15-12(16-17-14)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,15,16,17)/b9-8+