4-[2-[[4-azanyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate

Systemtic Name: 4-[2-[[4-azanyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate Openeye Name: 4-[2-[(4-amino-5-isobutyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoate CAS Name: 4-[2-[[4-amino-5-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzoate IUPAC Name: 4-[2-[[4-amino-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate Traditional Name: 4-[2-[(4-amino-5-isobutyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoate Formula: C15H19N4O3S- MolecularWeight: 335.40136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(N1N)SCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)CC1=NN=C(N1N)SCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H20N4O3S/c1-10(2)9-13-17-18-15(19(13)16)23-8-7-22-12-5-3-11(4-6-12)14(20)21/h3-6,10H,7-9,16H2,1-2H3,(H,20,21)/p-1