methyl 1-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]cyclohexanecarboxylate CAS Name: 1-[[1-oxo-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C23H25N5O3S/c1-31-21(30)23(12-6-3-7-13-23)25-19(29)16-32-22-27-26-20(17-9-8-14-24-15-17)28(22)18-10-4-2-5-11-18/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3,(H,25,29)