3-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: 3-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C12H13N3O2S2 MolecularWeight: 295.38052

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCC(=O)O)C2=CC=CS2

Isomeric SMILES

C=CCN1C(=NN=C1SCCC(=O)O)C2=CC=CS2

InChI

InChI=1S/C12H13N3O2S2/c1-2-6-15-11(9-4-3-7-18-9)13-14-12(15)19-8-5-10(16)17/h2-4,7H,1,5-6,8H2,(H,16,17)