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

Systemtic Name: propyl 2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: propyl 2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid propyl ester IUPAC Name: propyl 2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid propyl ester Formula: C16H21N3O2S2 MolecularWeight: 351.48684

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=NN=C(N1CC)CSC2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)CSC1=NN=C(N1CC)CSC2=CC=CC=C2

InChI

InChI=1S/C16H21N3O2S2/c1-3-10-21-15(20)12-23-16-18-17-14(19(16)4-2)11-22-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3