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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NN=C(N1C2CCCCC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)CCSC1=NN=C(N1C2CCCCC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O2S/c1-28-22(27)14-15-29-23-25-24-21(26(23)19-11-3-2-4-12-19)16-18-10-7-9-17-8-5-6-13-20(17)18/h5-10,13,19H,2-4,11-12,14-16H2,1H3