cyclohexyl 4-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-4-oxidanylidene-butanoate

Systemtic Name: cyclohexyl 4-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-4-oxidanylidene-butanoate Openeye Name: cyclohexyl 4-[[4-butyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-4-oxo-butanoate CAS Name: 4-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-4-oxobutanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-4-oxobutanoate Traditional Name: 4-[[4-butyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-4-keto-butyric acid cyclohexyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC(=O)CCC(=O)OC2CCCCC2)C3=CC=NC=C3

Isomeric SMILES

CCCCN1C(=NN=C1SC(=O)CCC(=O)OC2CCCCC2)C3=CC=NC=C3

InChI

InChI=1S/C21H28N4O3S/c1-2-3-15-25-20(16-11-13-22-14-12-16)23-24-21(25)29-19(27)10-9-18(26)28-17-7-5-4-6-8-17/h11-14,17H,2-10,15H2,1H3