N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide Openeye Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide CAS Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide Traditional Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-[(E)-3-phenylacryloyl]pyrrolidine-2-carboxamide Formula: C22H19BrN4O2S MolecularWeight: 483.38086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC2=CC=CC=C2)C(=O)NC3=NN=C(S3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CC(N(C1)C(=O)/C=C/C2=CC=CC=C2)C(=O)NC3=NN=C(S3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H19BrN4O2S/c23-17-9-4-8-16(14-17)21-25-26-22(30-21)24-20(29)18-10-5-13-27(18)19(28)12-11-15-6-2-1-3-7-15/h1-4,6-9,11-12,14,18H,5,10,13H2,(H,24,26,29)/b12-11+