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

Systemtic Name: propan-2-yl 2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C16H21N3O2S2 MolecularWeight: 351.48684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC(C)C)CSC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC(C)C)CSC2=CC=CC=C2

InChI

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