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

Systemtic Name: ethyl 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)OCC)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-3-18(20(25)26-4-2)28-21-23-22-19(15-27-17-13-9-6-10-14-17)24(21)16-11-7-5-8-12-16/h5-14,18H,3-4,15H2,1-2H3