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

Systemtic Name: cyclohexyl 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid cyclohexyl ester Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)OC3CCCCC3

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)OC3CCCCC3

InChI

InChI=1S/C18H23N3O2S/c1-2-16-19-20-18(21(16)14-9-5-3-6-10-14)24-13-17(22)23-15-11-7-4-8-12-15/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3