3-[(4-phenyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: 3-[(4-phenyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 3-[(4-phenyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[(4-phenyl-5-propyl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: 3-[(4-phenyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(4-phenyl-5-propyl-1,2,4-triazol-3-yl)thio]propionate Formula: C14H16N3O2S- MolecularWeight: 290.36074

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)[O-]

InChI

InChI=1S/C14H17N3O2S/c1-2-6-12-15-16-14(20-10-9-13(18)19)17(12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,18,19)/p-1