2-[(4-pentan-3-yl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(4-pentan-3-yl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[4-(1-ethylpropyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-pentan-3-yl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(4-pentan-3-yl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-(1-ethylpropyl)-5-isopropyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H20N3O2S- MolecularWeight: 270.3711

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=NN=C1SCC(=O)[O-])C(C)C

Isomeric SMILES

CCC(CC)N1C(=NN=C1SCC(=O)[O-])C(C)C

InChI

InChI=1S/C12H21N3O2S/c1-5-9(6-2)15-11(8(3)4)13-14-12(15)18-7-10(16)17/h8-9H,5-7H2,1-4H3,(H,16,17)/p-1