4-oxidanylidene-4-[5-(1,2,4-triazol-1-yl)thiophen-2-yl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[5-(1,2,4-triazol-1-yl)thiophen-2-yl]butanoic acid Openeye Name: 4-oxo-4-[5-(1,2,4-triazol-1-yl)-2-thienyl]butanoic acid CAS Name: 4-oxo-4-[5-(1,2,4-triazol-1-yl)-2-thiophenyl]butanoic acid IUPAC Name: 4-oxo-4-[5-(1,2,4-triazol-1-yl)thiophen-2-yl]butanoic acid Traditional Name: 4-keto-4-[5-(1,2,4-triazol-1-yl)-2-thienyl]butyric acid Formula: C10H9N3O3S MolecularWeight: 251.26176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)N2C=NC=N2)C(=O)CCC(=O)O

Isomeric SMILES

C1=C(SC(=C1)N2C=NC=N2)C(=O)CCC(=O)O

InChI

InChI=1S/C10H9N3O3S/c14-7(1-4-10(15)16)8-2-3-9(17-8)13-6-11-5-12-13/h2-3,5-6H,1,4H2,(H,15,16)