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

Systemtic Name: ethyl 2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC=C)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC=C)CCC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O2S/c1-3-12-20-15(11-10-14-8-6-5-7-9-14)18-19-17(20)23-13-16(21)22-4-2/h3,5-9H,1,4,10-13H2,2H3