5-[2-(2-azanylpyridin-4-yl)-5-bromanyl-3-methoxy-phenyl]-N-phenyl-1,3,4-thiadiazol-2-amine hydrochloride

Systemtic Name: 5-[2-(2-azanylpyridin-4-yl)-5-bromanyl-3-methoxy-phenyl]-N-phenyl-1,3,4-thiadiazol-2-amine hydrochloride Openeye Name: 5-[2-(2-amino-4-pyridyl)-5-bromo-3-methoxy-phenyl]-N-phenyl-1,3,4-thiadiazol-2-amine hydrochloride CAS Name: 5-[2-(2-amino-4-pyridinyl)-5-bromo-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine hydrochloride IUPAC Name: 5-[2-(2-aminopyridin-4-yl)-5-bromo-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine hydrochloride Traditional Name: [5-[2-(2-amino-4-pyridyl)-5-bromo-3-methoxy-phenyl]-1,3,4-thiadiazol-2-yl]-phenyl-amine hydrochloride Formula: C20H17BrClN5OS MolecularWeight: 490.80388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN5OS.ClH/c1-27-16-11-13(21)10-15(18(16)12-7-8-23-17(22)9-12)19-25-26-20(28-19)24-14-5-3-2-4-6-14;/h2-11H,1H3,(H2,22,23)(H,24,26);1H