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

Systemtic Name: 5-[(3-bromophenyl)methylsulfanyl]-N-(4-ethylphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(3-bromophenyl)methylsulfanyl]-N-(4-ethylphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-bromophenyl)methylthio]-N-(4-ethylphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3-bromophenyl)methylsulfanyl]-N-(4-ethylphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(3-bromobenzyl)thio]-1,3,4-thiadiazol-2-yl]-(4-ethylphenyl)amine Formula: C17H16BrN3S2 MolecularWeight: 406.36304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H16BrN3S2/c1-2-12-6-8-15(9-7-12)19-16-20-21-17(23-16)22-11-13-4-3-5-14(18)10-13/h3-10H,2,11H2,1H3,(H,19,20)