2-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromanyl-2-chloranyl-phenyl)ethanamide

Systemtic Name: 2-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromanyl-2-chloranyl-phenyl)ethanamide Openeye Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-chloro-phenyl)acetamide CAS Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-chlorophenyl)acetamide IUPAC Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide Traditional Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-chloro-phenyl)acetamide Formula: C16H13BrClN5OS MolecularWeight: 438.72932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)Br)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)Br)Cl)N

InChI

InChI=1S/C16H13BrClN5OS/c17-10-6-7-13(12(18)8-10)20-14(24)9-25-16-22-21-15(19)23(16)11-4-2-1-3-5-11/h1-8H,9H2,(H2,19,21)(H,20,24)