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

Systemtic Name: 5-[2-(2-azanylpyridin-4-yl)-3-methoxy-phenyl]-N-phenyl-1,3,4-thiadiazol-2-amine hydrochloride Openeye Name: 5-[2-(2-amino-4-pyridyl)-3-methoxy-phenyl]-N-phenyl-1,3,4-thiadiazol-2-amine hydrochloride CAS Name: 5-[2-(2-amino-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine hydrochloride IUPAC Name: 5-[2-(2-aminopyridin-4-yl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine hydrochloride Traditional Name: [5-[2-(2-amino-4-pyridyl)-3-methoxy-phenyl]-1,3,4-thiadiazol-2-yl]-phenyl-amine hydrochloride Formula: C20H18ClN5OS MolecularWeight: 411.90782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C2=CC(=NC=C2)N)C3=NN=C(S3)NC4=CC=CC=C4.Cl

Isomeric SMILES

COC1=CC=CC(=C1C2=CC(=NC=C2)N)C3=NN=C(S3)NC4=CC=CC=C4.Cl

InChI

InChI=1S/C20H17N5OS.ClH/c1-26-16-9-5-8-15(18(16)13-10-11-22-17(21)12-13)19-24-25-20(27-19)23-14-6-3-2-4-7-14;/h2-12H,1H3,(H2,21,22)(H,23,25);1H