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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methylphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-o-toluoyl-pyrrolidine-2-carboxamide Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCCC2C(=O)NC3=NN=C(S3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCCC2C(=O)NC3=NN=C(S3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H19BrN4O2S/c1-13-5-2-3-6-16(13)20(28)26-12-4-7-17(26)18(27)23-21-25-24-19(29-21)14-8-10-15(22)11-9-14/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,23,25,27)