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

Systemtic Name: cyclohexyl 4-oxidanylidene-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: cyclohexyl 4-oxo-4-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 4-oxo-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]butanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-oxo-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 4-keto-4-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butyric acid cyclohexyl ester Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CCC(=O)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)CCC(=O)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H24N4O3S/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/h1,3-4,7-8,13-16,19H,2,5-6,9-12H2