2-[(5-methyl-4-phenyl-1,2,3-triazol-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[(5-methyl-4-phenyl-1,2,3-triazol-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid Openeye Name: 2-[(5-methyl-4-phenyl-triazol-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylic acid CAS Name: 4-mercapto-2-[(5-methyl-4-phenyl-1-triazolyl)methyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[(5-methyl-4-phenyltriazol-1-yl)methyl]-4-sulfanylpyrrolidine-1-carboxylic acid Traditional Name: 4-mercapto-2-[(5-methyl-4-phenyl-triazol-1-yl)methyl]pyrrolidine-1-carboxylic acid Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1CC2CC(CN2C(=O)O)S)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N=NN1CC2CC(CN2C(=O)O)S)C3=CC=CC=C3

InChI

InChI=1S/C15H18N4O2S/c1-10-14(11-5-3-2-4-6-11)16-17-19(10)8-12-7-13(22)9-18(12)15(20)21/h2-6,12-13,22H,7-9H2,1H3,(H,20,21)