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

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

Systemtic Name:2-[[5-ethyl-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate
Openeye Name:2-[[5-ethyl-4-(2-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CAS Name:2-[[5-ethyl-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]acetate
IUPAC Name:2-[[5-ethyl-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Traditional Name:2-[(5-ethyl-4-o-cumenyl-1,2,4-triazol-3-yl)thio]acetate
Formula: C15H18N3O2S-
MolecularWeight: 304.38732
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2C(C)C)SCC(=O)[O-]


Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2C(C)C)SCC(=O)[O-]


InChI

InChI=1S/C15H19N3O2S/c1-4-13-16-17-15(21-9-14(19)20)18(13)12-8-6-5-7-11(12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,19,20)/p-1


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