3-[4-(oxolan-2-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propanoic acid

Systemtic Name: 3-[4-(oxolan-2-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propanoic acid Openeye Name: 3-[4-(tetrahydrofuran-2-ylmethyl)-5-thioxo-1H-1,2,4-triazol-3-yl]propanoic acid CAS Name: 3-[4-(2-oxolanylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propanoic acid IUPAC Name: 3-[4-(oxolan-2-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propanoic acid Traditional Name: 3-[4-(tetrahydrofurfuryl)-5-thioxo-1H-1,2,4-triazol-3-yl]propionic acid Formula: C10H15N3O3S MolecularWeight: 257.3094

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NNC2=S)CCC(=O)O

Isomeric SMILES

C1CC(OC1)CN2C(=NNC2=S)CCC(=O)O

InChI

InChI=1S/C10H15N3O3S/c14-9(15)4-3-8-11-12-10(17)13(8)6-7-2-1-5-16-7/h7H,1-6H2,(H,12,17)(H,14,15)