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

Systemtic Name: ethyl 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanoate Openeye Name: ethyl 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanoate CAS Name: 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanoate Traditional Name: 2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-3-methyl-butyric acid ethyl ester Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC)SC(C(C)C)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC)SC(C(C)C)C(=O)OCC

InChI

InChI=1S/C20H29N3O3S/c1-6-15-9-11-16(12-10-15)26-13-17-21-22-20(23(17)7-2)27-18(14(4)5)19(24)25-8-3/h9-12,14,18H,6-8,13H2,1-5H3