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

Systemtic Name: methyl 4-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3CCCCC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H29N3O2S/c1-33-27(32)22-16-14-20(15-17-22)19-34-28-30-29-26(31(28)24-11-3-2-4-12-24)18-23-10-7-9-21-8-5-6-13-25(21)23/h5-10,13-17,24H,2-4,11-12,18-19H2,1H3