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

Systemtic Name: 5-(5-bromanyl-2-chloranyl-phenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine Openeye Name: 5-(5-bromo-2-chloro-phenyl)-N-(4-morpholinophenyl)-1H-1,2,4-triazol-3-amine CAS Name: 5-(5-bromo-2-chlorophenyl)-N-[4-(4-morpholinyl)phenyl]-1H-1,2,4-triazol-3-amine IUPAC Name: 5-(5-bromo-2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1H-1,2,4-triazol-3-amine Traditional Name: [5-(5-bromo-2-chloro-phenyl)-1H-1,2,4-triazol-3-yl]-(4-morpholinophenyl)amine Formula: C18H17BrClN5O MolecularWeight: 434.71748

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC3=NNC(=N3)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC3=NNC(=N3)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C18H17BrClN5O/c19-12-1-6-16(20)15(11-12)17-22-18(24-23-17)21-13-2-4-14(5-3-13)25-7-9-26-10-8-25/h1-6,11H,7-10H2,(H2,21,22,23,24)