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

Systemtic Name: ethyl 2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1C2CCCCC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1C2CCCCC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O2S/c1-2-28-22(27)16-29-23-25-24-21(26(23)19-12-4-3-5-13-19)15-18-11-8-10-17-9-6-7-14-20(17)18/h6-11,14,19H,2-5,12-13,15-16H2,1H3