5-[(4-bromophenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(4-bromophenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(4-bromophenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-bromophenyl)methylthio]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(4-bromophenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-(4-phenoxyphenyl)amine Formula: C21H16BrN3OS2 MolecularWeight: 470.40524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3OS2/c22-16-8-6-15(7-9-16)14-27-21-25-24-20(28-21)23-17-10-12-19(13-11-17)26-18-4-2-1-3-5-18/h1-13H,14H2,(H,23,24)