2-[(4-pentan-3-yl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(4-pentan-3-yl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[4-(1-ethylpropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-pentan-3-yl-5-phenyl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-pentan-3-yl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-(1-ethylpropyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetate Formula: C15H18N3O2S- MolecularWeight: 304.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=NN=C1SCC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCC(CC)N1C(=NN=C1SCC(=O)[O-])C2=CC=CC=C2

InChI

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