5-[2-(4-bromanylphenoxy)ethylsulfanyl]-N-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[2-(4-bromanylphenoxy)ethylsulfanyl]-N-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[2-(4-bromophenoxy)ethylsulfanyl]-N-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[2-(4-bromophenoxy)ethylthio]-N-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[2-(4-bromophenoxy)ethylsulfanyl]-N-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[2-(4-bromophenoxy)ethylthio]-1,3,4-thiadiazol-2-yl]-(3,4-dimethylphenyl)amine Formula: C18H18BrN3OS2 MolecularWeight: 436.38902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN=C(S2)SCCOC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN=C(S2)SCCOC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H18BrN3OS2/c1-12-3-6-15(11-13(12)2)20-17-21-22-18(25-17)24-10-9-23-16-7-4-14(19)5-8-16/h3-8,11H,9-10H2,1-2H3,(H,20,21)