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

Systemtic Name: 2-[[4-butyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(5-benzyl-4-butyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[[4-butyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[(5-benzyl-4-butyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-benzyl-4-butyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C15H19N3O2S/c1-2-3-9-18-13(10-12-7-5-4-6-8-12)16-17-15(18)21-11-14(19)20/h4-8H,2-3,9-11H2,1H3,(H,19,20)