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

Systemtic Name: 2-[[4-(3-methylbutyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[(4-isopentyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[4-(3-methylbutyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(3-methylbutyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-isoamyl-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:

CC(C)CCN1C(=NN=C1SCC(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC(C)CCN1C(=NN=C1SCC(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C15H19N3O2S/c1-11(2)8-9-18-14(12-6-4-3-5-7-12)16-17-15(18)21-10-13(19)20/h3-7,11H,8-10H2,1-2H3,(H,19,20)/p-1