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

Systemtic Name: ethyl 3-[[4-ethyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 3-[[4-ethyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-ethyl-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-ethyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-ethyl-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCCC(=O)OCC

Isomeric SMILES

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCCC(=O)OCC

InChI

InChI=1S/C15H19N3O3S/c1-3-18-14(11-5-7-12(19)8-6-11)16-17-15(18)22-10-9-13(20)21-4-2/h5-8,16H,3-4,9-10H2,1-2H3