1-(4-bromophenyl)-5-methyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)-5-methyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-bromophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-5-methyl-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-4-pyrazolecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-1-(4-bromophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C20H16BrN5OS2 MolecularWeight: 486.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C20H16BrN5OS2/c1-13-17(11-22-26(13)16-9-7-15(21)8-10-16)18(27)23-19-24-25-20(29-19)28-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,24,27)