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

Systemtic Name: 4-[3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]propoxy]benzoate Formula: C14H16N3O3S- MolecularWeight: 306.36014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCC1=NC(=NN1)SCCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H17N3O3S/c1-2-12-15-14(17-16-12)21-9-3-8-20-11-6-4-10(5-7-11)13(18)19/h4-7H,2-3,8-9H2,1H3,(H,18,19)(H,15,16,17)/p-1