2-[[4-azanyl-5-(3-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=NN=C(N2N)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=NN=C(N2N)SCC(=O)[O-]

InChI

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