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

Systemtic Name: 1-(3-bromophenyl)carbonyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(3-bromobenzoyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide CAS Name: 1-[(3-bromophenyl)-oxomethyl]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(3-bromobenzoyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Traditional Name: 1-(3-bromobenzoyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide Formula: C21H19BrN4O3S MolecularWeight: 487.36956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3CCCN3C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3CCCN3C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H19BrN4O3S/c1-29-16-9-7-13(8-10-16)19-24-25-21(30-19)23-18(27)17-6-3-11-26(17)20(28)14-4-2-5-15(22)12-14/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,23,25,27)