5-(3-bromanyl-4-ethoxy-phenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-(3-bromanyl-4-ethoxy-phenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine Openeye Name: 5-(3-bromo-4-ethoxy-phenyl)-N-(4-morpholinophenyl)-1H-1,2,4-triazol-3-amine CAS Name: 5-(3-bromo-4-ethoxyphenyl)-N-[4-(4-morpholinyl)phenyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-(3-bromo-4-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine Traditional Name: [5-(3-bromo-4-ethoxy-phenyl)-1H-1,2,4-triazol-3-yl]-(4-morpholinophenyl)amine Formula: C20H22BrN5O2 MolecularWeight: 444.32498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=NN2)NC3=CC=C(C=C3)N4CCOCC4)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=NN2)NC3=CC=C(C=C3)N4CCOCC4)Br

InChI

InChI=1S/C20H22BrN5O2/c1-2-28-18-8-3-14(13-17(18)21)19-23-20(25-24-19)22-15-4-6-16(7-5-15)26-9-11-27-12-10-26/h3-8,13H,2,9-12H2,1H3,(H2,22,23,24,25)