5-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-N-[2-(2-thienyl)ethyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(2-bromo-4,5-dimethoxy-benzyl)thio]-1,3,4-thiadiazol-2-yl]-[2-(2-thienyl)ethyl]amine Formula: C17H18BrN3O2S3 MolecularWeight: 472.44272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NN=C(S2)NCCC3=CC=CS3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NN=C(S2)NCCC3=CC=CS3)Br)OC

InChI

InChI=1S/C17H18BrN3O2S3/c1-22-14-8-11(13(18)9-15(14)23-2)10-25-17-21-20-16(26-17)19-6-5-12-4-3-7-24-12/h3-4,7-9H,5-6,10H2,1-2H3,(H,19,20)