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

Systemtic Name: ethyl 2-[[4-ethyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-ethyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-ethyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)OCC

Isomeric SMILES

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)OCC

InChI

InChI=1S/C14H17N3O3S/c1-3-17-13(10-5-7-11(18)8-6-10)15-16-14(17)21-9-12(19)20-4-2/h5-8,15H,3-4,9H2,1-2H3