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

Systemtic Name: ethyl 2-[[4-cyclohexyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-cyclohexyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-cyclohexyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-cyclohexyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-cyclohexyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2CCCCC2)COC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2CCCCC2)COC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H27N3O4S/c1-3-26-19(24)14-28-20-22-21-18(23(20)15-7-5-4-6-8-15)13-27-17-11-9-16(25-2)10-12-17/h9-12,15H,3-8,13-14H2,1-2H3