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

Systemtic Name: cyclohexyl 2-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C15H19N5O2S MolecularWeight: 333.40866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NN=C(N2N)C3=CC=NC=C3

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NN=C(N2N)C3=CC=NC=C3

InChI

InChI=1S/C15H19N5O2S/c16-20-14(11-6-8-17-9-7-11)18-19-15(20)23-10-13(21)22-12-4-2-1-3-5-12/h6-9,12H,1-5,10,16H2