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

Systemtic Name: 4-oxidanylidene-4-[5-(1,2,4-triazol-4-ylmethyl)thiophen-2-yl]butanoic acid Openeye Name: 4-oxo-4-[5-(1,2,4-triazol-4-ylmethyl)-2-thienyl]butanoic acid CAS Name: 4-oxo-4-[5-(1,2,4-triazol-4-ylmethyl)-2-thiophenyl]butanoic acid IUPAC Name: 4-oxo-4-[5-(1,2,4-triazol-4-ylmethyl)thiophen-2-yl]butanoic acid Traditional Name: 4-keto-4-[5-(1,2,4-triazol-4-ylmethyl)-2-thienyl]butyric acid Formula: C11H11N3O3S MolecularWeight: 265.28834

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)C(=O)CCC(=O)O)CN2C=NN=C2

Isomeric SMILES

C1=C(SC(=C1)C(=O)CCC(=O)O)CN2C=NN=C2

InChI

InChI=1S/C11H11N3O3S/c15-9(2-4-11(16)17)10-3-1-8(18-10)5-14-6-12-13-7-14/h1,3,6-7H,2,4-5H2,(H,16,17)