4-[(5-oxidanylidene-2-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoic acid

Systemtic Name: 4-[(5-oxidanylidene-2-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoic acid Openeye Name: 4-[(5-oxo-2-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoic acid CAS Name: 4-[(5-oxo-2-phenyl-1H-1,2,4-triazol-3-yl)thio]butanoic acid IUPAC Name: 4-[(5-oxo-2-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoic acid Traditional Name: 4-[(5-keto-2-phenyl-1H-1,2,4-triazol-3-yl)thio]butyric acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=O)N2)SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=O)N2)SCCCC(=O)O

InChI

InChI=1S/C12H13N3O3S/c16-10(17)7-4-8-19-12-13-11(18)14-15(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,18)(H,16,17)