(E)-3-(3-sulfanyl-1,2,4-triazol-3-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(3-sulfanyl-1,2,4-triazol-3-yl)prop-2-enoic acid Openeye Name: (E)-3-(3-sulfanyl-1,2,4-triazol-3-yl)prop-2-enoic acid CAS Name: (E)-3-(3-mercapto-1,2,4-triazol-3-yl)-2-propenoic acid IUPAC Name: (E)-3-(3-sulfanyl-1,2,4-triazol-3-yl)prop-2-enoic acid Traditional Name: (E)-3-(3-mercapto-1,2,4-triazol-3-yl)acrylic acid Formula: C5H5N3O2S MolecularWeight: 171.1771

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(N=N1)(C=CC(=O)O)S

Isomeric SMILES

C1=NC(N=N1)(/C=C/C(=O)O)S

InChI

InChI=1S/C5H5N3O2S/c9-4(10)1-2-5(11)6-3-7-8-5/h1-3,11H,(H,9,10)/b2-1+