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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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