1-(2-chloranyl-4-nitro-phenyl)carbonyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)carbonyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(2-chloro-4-nitro-benzoyl)-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide CAS Name: 1-[(2-chloro-4-nitrophenyl)-oxomethyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-chloro-4-nitrobenzoyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Traditional Name: 1-(2-chloro-4-nitro-benzoyl)-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Formula: C21H18ClN5O4S MolecularWeight: 471.91672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3CCCN3C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3CCCN3C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H18ClN5O4S/c1-12-4-6-13(7-5-12)19-24-25-21(32-19)23-18(28)17-3-2-10-26(17)20(29)15-9-8-14(27(30)31)11-16(15)22/h4-9,11,17H,2-3,10H2,1H3,(H,23,25,28)