N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrobenzoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(3-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrobenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-nitrobenzoyl)pyrrolidine-2-carboxamide Formula: C20H16ClN5O4S MolecularWeight: 457.89014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=NN=C(S3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=NN=C(S3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H16ClN5O4S/c21-14-6-1-4-12(10-14)18-23-24-20(31-18)22-17(27)16-8-3-9-25(16)19(28)13-5-2-7-15(11-13)26(29)30/h1-2,4-7,10-11,16H,3,8-9H2,(H,22,24,27)