5-[2-(2-azanylpyridin-4-yl)-3,5-dimethoxy-phenyl]-N-(4-bromophenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[2-(2-azanylpyridin-4-yl)-3,5-dimethoxy-phenyl]-N-(4-bromophenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[2-(2-amino-4-pyridyl)-3,5-dimethoxy-phenyl]-N-(4-bromophenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[2-(2-amino-4-pyridinyl)-3,5-dimethoxyphenyl]-N-(4-bromophenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[2-(2-aminopyridin-4-yl)-3,5-dimethoxyphenyl]-N-(4-bromophenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[2-(2-amino-4-pyridyl)-3,5-dimethoxy-phenyl]-1,3,4-thiadiazol-2-yl]-(4-bromophenyl)amine Formula: C21H18BrN5O2S MolecularWeight: 484.36892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C2=NN=C(S2)NC3=CC=C(C=C3)Br)C4=CC(=NC=C4)N)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)C2=NN=C(S2)NC3=CC=C(C=C3)Br)C4=CC(=NC=C4)N)OC

InChI

InChI=1S/C21H18BrN5O2S/c1-28-15-10-16(19(17(11-15)29-2)12-7-8-24-18(23)9-12)20-26-27-21(30-20)25-14-5-3-13(22)4-6-14/h3-11H,1-2H3,(H2,23,24)(H,25,27)