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

Systemtic Name: 4-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate Openeye Name: 4-[2-[(5-isobutyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoate CAS Name: 4-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]thio]ethoxy]benzoate IUPAC Name: 4-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate Traditional Name: 4-[2-[(5-isobutyl-1H-1,2,4-triazol-3-yl)thio]ethoxy]benzoate Formula: C15H18N3O3S- MolecularWeight: 320.38672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=NN1)SCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)CC1=NC(=NN1)SCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H19N3O3S/c1-10(2)9-13-16-15(18-17-13)22-8-7-21-12-5-3-11(4-6-12)14(19)20/h3-6,10H,7-9H2,1-2H3,(H,19,20)(H,16,17,18)/p-1