butyl 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: butyl 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid butyl ester Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NN=C(N1CC)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCOC(=O)CSC1=NN=C(N1CC)C2=CC(=CC=C2)C

InChI

InChI=1S/C17H23N3O2S/c1-4-6-10-22-15(21)12-23-17-19-18-16(20(17)5-2)14-9-7-8-13(3)11-14/h7-9,11H,4-6,10,12H2,1-3H3