ethyl 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate

Systemtic Name: ethyl 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3C

Isomeric SMILES

CCC(C(=O)OCC)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3C

InChI

InChI=1S/C22H25N3O3S/c1-4-19(21(26)27-5-2)29-22-24-23-20(25(22)17-12-7-6-8-13-17)15-28-18-14-10-9-11-16(18)3/h6-14,19H,4-5,15H2,1-3H3