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

Systemtic Name: 2-[(4-pentan-2-yl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[4-(1-methylbutyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[(4-pentan-2-yl-5-propyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-pentan-2-yl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[[4-(1-methylbutyl)-5-propyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H21N3O2S MolecularWeight: 271.37904

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C(C)CCC)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1C(C)CCC)SCC(=O)O

InChI

InChI=1S/C12H21N3O2S/c1-4-6-9(3)15-10(7-5-2)13-14-12(15)18-8-11(16)17/h9H,4-8H2,1-3H3,(H,16,17)