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

Systemtic Name: 2-[[4-azanyl-5-(3-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-amino-5-(3-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-amino-5-(3-phenylpropyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-amino-5-(3-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-amino-5-(3-phenylpropyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H16N4O2S MolecularWeight: 292.35674

Click to see the large picture

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)