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

Systemtic Name: 5-[2-(2-azanylpyridin-4-yl)-3,5-dimethoxy-phenyl]-N-phenyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[2-(2-amino-4-pyridyl)-3,5-dimethoxy-phenyl]-N-phenyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[2-(2-amino-4-pyridinyl)-3,5-dimethoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[2-(2-aminopyridin-4-yl)-3,5-dimethoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[2-(2-amino-4-pyridyl)-3,5-dimethoxy-phenyl]-1,3,4-thiadiazol-2-yl]-phenyl-amine Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2S/c1-27-15-11-16(19(17(12-15)28-2)13-8-9-23-18(22)10-13)20-25-26-21(29-20)24-14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,22,23)(H,24,26)