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

Systemtic Name: methyl 2-[[5-(4-cyclopentyloxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-[4-(cyclopentoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-cyclopentyloxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(4-cyclopentyloxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[4-(cyclopentoxy)phenyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OC)C2=CC=C(C=C2)OC3CCCC3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC)C2=CC=C(C=C2)OC3CCCC3

InChI

InChI=1S/C17H21N3O3S/c1-20-16(18-19-17(20)24-11-15(21)22-2)12-7-9-14(10-8-12)23-13-5-3-4-6-13/h7-10,13H,3-6,11H2,1-2H3