3-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)[O-])CCC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)[O-])CCC2=CC=CC=C2

InChI

InChI=1S/C14H17N3O2S/c1-17-12(8-7-11-5-3-2-4-6-11)15-16-14(17)20-10-9-13(18)19/h2-6H,7-10H2,1H3,(H,18,19)/p-1