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

Systemtic Name: cyclohexyl 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C21H22N4O2S/c26-19(27-18-9-5-2-6-10-18)15-28-21-24-23-20(16-11-13-22-14-12-16)25(21)17-7-3-1-4-8-17/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2