4-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propoxy]benzoate

Systemtic Name: 4-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propoxy]benzoate Openeye Name: 4-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propoxy]benzoate CAS Name: 4-[3-(1H-1,2,4-triazol-5-ylthio)propoxy]benzoate IUPAC Name: 4-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propoxy]benzoate Traditional Name: 4-[3-(1H-1,2,4-triazol-5-ylthio)propoxy]benzoate Formula: C12H12N3O3S- MolecularWeight: 278.30698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])OCCCSC2=NC=NN2

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])OCCCSC2=NC=NN2

InChI

InChI=1S/C12H13N3O3S/c16-11(17)9-2-4-10(5-3-9)18-6-1-7-19-12-13-8-14-15-12/h2-5,8H,1,6-7H2,(H,16,17)(H,13,14,15)/p-1