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

Systemtic Name: 1-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]proline Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NN=CN2C3CC3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NN=CN2C3CC3)C(=O)O

InChI

InChI=1S/C12H16N4O3S/c17-10(15-5-1-2-9(15)11(18)19)6-20-12-14-13-7-16(12)8-3-4-8/h7-9H,1-6H2,(H,18,19)