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

Systemtic Name: methyl 2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-27-21(26)15-28-22-24-23-20(25(22)18-11-3-2-4-12-18)14-17-10-7-9-16-8-5-6-13-19(16)17/h5-10,13,18H,2-4,11-12,14-15H2,1H3