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

Systemtic Name: 3-[(4-azanyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 3-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 3-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)thio]propanoate IUPAC Name: 3-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)thio]propionate Formula: C13H15N4O2S- MolecularWeight: 291.3488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN=C(N2N)SCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN=C(N2N)SCCC(=O)[O-]

InChI

InChI=1S/C13H16N4O2S/c14-17-11(7-6-10-4-2-1-3-5-10)15-16-13(17)20-9-8-12(18)19/h1-5H,6-9,14H2,(H,18,19)/p-1