2-[[4-ethyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 2-[[4-ethyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[4-ethyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[4-ethyl-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[4-ethyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[4-ethyl-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]propionic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=O)C=C2)NN=C1SC(C)C(=O)O

Isomeric SMILES

CCN1C(=C2C=CC(=O)C=C2)NN=C1SC(C)C(=O)O

InChI

InChI=1S/C13H15N3O3S/c1-3-16-11(9-4-6-10(17)7-5-9)14-15-13(16)20-8(2)12(18)19/h4-8,14H,3H2,1-2H3,(H,18,19)