ethyl 2-cyano-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexylidene]ethanoate

Systemtic Name: ethyl 2-cyano-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexylidene]ethanoate Openeye Name: ethyl 2-cyano-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexylidene]acetate CAS Name: 2-cyano-2-[2-(1H-1,2,4-triazol-5-ylthio)cyclohexylidene]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexylidene]acetate Traditional Name: 2-cyano-2-[2-(1H-1,2,4-triazol-5-ylthio)cyclohexylidene]acetic acid ethyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1CCCCC1SC2=NC=NN2)C#N

Isomeric SMILES

CCOC(=O)C(=C1CCCCC1SC2=NC=NN2)C#N

InChI

InChI=1S/C13H16N4O2S/c1-2-19-12(18)10(7-14)9-5-3-4-6-11(9)20-13-15-8-16-17-13/h8,11H,2-6H2,1H3,(H,15,16,17)