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

Systemtic Name: cyclohexyl 4-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-4-oxidanylidene-butanoate Openeye Name: cyclohexyl 4-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-4-oxo-butanoate CAS Name: 4-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-4-oxobutanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-4-oxobutanoate Traditional Name: 4-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-4-keto-butyric acid cyclohexyl ester Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SC(=O)CCC(=O)OC3CCCCC3)C4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SC(=O)CCC(=O)OC3CCCCC3)C4=CC=NC=C4

InChI

InChI=1S/C23H30N4O3S/c28-20(30-19-9-5-2-6-10-19)11-12-21(29)31-23-26-25-22(17-13-15-24-16-14-17)27(23)18-7-3-1-4-8-18/h13-16,18-19H,1-12H2