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

Systemtic Name: 2-[(4-phenyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-phenyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-phenyl-5-propyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-phenyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-phenyl-5-propyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)O

InChI

InChI=1S/C13H15N3O2S/c1-2-6-11-14-15-13(19-9-12(17)18)16(11)10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,17,18)