2-methylpropyl (2R)-2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: 2-methylpropyl (2R)-2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: isobutyl (2R)-2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[4-ethyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (2R)-2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[[4-ethyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]propionic acid isobutyl ester Formula: C18H25N3O2S2 MolecularWeight: 379.54

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)OCC(C)C)CSC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C)C(=O)OCC(C)C)CSC2=CC=CC=C2

InChI

InChI=1S/C18H25N3O2S2/c1-5-21-16(12-24-15-9-7-6-8-10-15)19-20-18(21)25-14(4)17(22)23-11-13(2)3/h6-10,13-14H,5,11-12H2,1-4H3/t14-/m1/s1