1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]proline Formula: C12H18N4O3S MolecularWeight: 298.36132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C12H18N4O3S/c1-8(2)16-7-13-14-12(16)20-6-10(17)15-5-3-4-9(15)11(18)19/h7-9H,3-6H2,1-2H3,(H,18,19)