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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methyl-3-nitro-phenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methyl-3-nitro-benzoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-[(4-methyl-3-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methyl-3-nitrobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methyl-3-nitro-benzoyl)pyrrolidine-2-carboxamide Formula: C21H18BrN5O4S MolecularWeight: 516.36772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCC2C(=O)NC3=NN=C(S3)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCC2C(=O)NC3=NN=C(S3)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H18BrN5O4S/c1-12-4-5-14(11-17(12)27(30)31)20(29)26-10-2-3-16(26)18(28)23-21-25-24-19(32-21)13-6-8-15(22)9-7-13/h4-9,11,16H,2-3,10H2,1H3,(H,23,25,28)