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

Systemtic Name: ethyl 2-[[5-(4-butoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-allyl-5-(4-butoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-butoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-butoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(4-butoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)OCC

InChI

InChI=1S/C19H25N3O3S/c1-4-7-13-25-16-10-8-15(9-11-16)18-20-21-19(22(18)12-5-2)26-14-17(23)24-6-3/h5,8-11H,2,4,6-7,12-14H2,1,3H3