3-[[5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC(=NN2)SCCC(=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC(=NN2)SCCC(=O)[O-]

InChI

InChI=1S/C14H17N3O3S/c1-2-8-20-11-5-3-10(4-6-11)13-15-14(17-16-13)21-9-7-12(18)19/h3-6H,2,7-9H2,1H3,(H,18,19)(H,15,16,17)/p-1