ethyl 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2S/c1-6-12-22-17(14-8-10-15(11-9-14)19(3,4)5)20-21-18(22)25-13-16(23)24-7-2/h6,8-11H,1,7,12-13H2,2-5H3