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

Systemtic Name: 2-[[5-(phenylmethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[[5-(phenylmethyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-benzyl-4-propyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C14H17N3O2S MolecularWeight: 291.36868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C14H17N3O2S/c1-2-8-17-12(9-11-6-4-3-5-7-11)15-16-14(17)20-10-13(18)19/h3-7H,2,8-10H2,1H3,(H,18,19)