2-(4-phenylphenyl)propan-2-yl (2S)-2-(6-nitrobenzotriazol-1-yl)carbothioylpyrrolidine-1-carboxylate

Systemtic Name: 2-(4-phenylphenyl)propan-2-yl (2S)-2-(6-nitrobenzotriazol-1-yl)carbothioylpyrrolidine-1-carboxylate Openeye Name: [1-methyl-1-(4-phenylphenyl)ethyl] (2S)-2-(6-nitrobenzotriazole-1-carbothioyl)pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(6-nitro-1-benzotriazolyl)-sulfanylidenemethyl]-1-pyrrolidinecarboxylic acid 2-(4-phenylphenyl)propan-2-yl ester IUPAC Name: 2-(4-phenylphenyl)propan-2-yl (2S)-2-(6-nitrobenzotriazole-1-carbothioyl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-(6-nitrobenzotriazole-1-carbothioyl)pyrrolidine-1-carboxylic acid [1-methyl-1-(4-phenylphenyl)ethyl] ester Formula: C27H25N5O4S MolecularWeight: 515.5835

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)N3CCCC3C(=S)N4C5=C(C=CC(=C5)[N+](=O)[O-])N=N4

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)N3CCC[C@H]3C(=S)N4C5=C(C=CC(=C5)[N+](=O)[O-])N=N4

InChI

InChI=1S/C27H25N5O4S/c1-27(2,20-12-10-19(11-13-20)18-7-4-3-5-8-18)36-26(33)30-16-6-9-23(30)25(37)31-24-17-21(32(34)35)14-15-22(24)28-29-31/h3-5,7-8,10-15,17,23H,6,9,16H2,1-2H3/t23-/m0/s1