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

Systemtic Name: 5-[(3-bromophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(3-bromophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-bromophenyl)methylthio]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3-bromophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(3-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-(4-methoxyphenyl)amine Formula: C16H14BrN3OS2 MolecularWeight: 408.33586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H14BrN3OS2/c1-21-14-7-5-13(6-8-14)18-15-19-20-16(23-15)22-10-11-3-2-4-12(17)9-11/h2-9H,10H2,1H3,(H,18,19)