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

Systemtic Name: ethyl 2-[4-cyclohexyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-cyclohexyl-5-(1-naphthylmethylsulfanyl)-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-cyclohexyl-5-(1-naphthalenylmethylthio)-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-cyclohexyl-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[4-cyclohexyl-5-(1-naphthylmethylthio)-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C23H27N3O2S MolecularWeight: 409.54438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC3=CC=CC4=CC=CC=C43

InChI

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