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

Systemtic Name: ethyl 2-[[5-(1-phenoxyethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-allyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(1-phenoxyethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(1-phenoxyethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC=C)C(C)OC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC=C)C(C)OC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O3S/c1-4-11-20-16(13(3)23-14-9-7-6-8-10-14)18-19-17(20)24-12-15(21)22-5-2/h4,6-10,13H,1,5,11-12H2,2-3H3