(4-nitrophenyl)methyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[[(1-methyl-5-tetrazolyl)thio]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-[[(1-methyltetrazol-5-yl)thio]methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H18N6O4S2 MolecularWeight: 410.47122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

CN1C(=NN=N1)SCC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C15H18N6O4S2/c1-19-14(16-17-18-19)27-9-12-6-13(26)7-20(12)15(22)25-8-10-2-4-11(5-3-10)21(23)24/h2-5,12-13,26H,6-9H2,1H3