methyl 3-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=C(OC=C4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=C(OC=C4)C(=O)OC

InChI

InChI=1S/C22H25N3O4S/c1-27-18-10-8-15(9-11-18)20-23-24-22(25(20)17-6-4-3-5-7-17)30-14-16-12-13-29-19(16)21(26)28-2/h8-13,17H,3-7,14H2,1-2H3