2-(5-bromanyl-2-oxidanyl-phenyl)-6-phenyl-3-(1,2,4-triazol-4-yl)-2H-1,3,5-oxadiazine-4-thione

Systemtic Name: 2-(5-bromanyl-2-oxidanyl-phenyl)-6-phenyl-3-(1,2,4-triazol-4-yl)-2H-1,3,5-oxadiazine-4-thione Openeye Name: 2-(5-bromo-2-hydroxy-phenyl)-6-phenyl-3-(1,2,4-triazol-4-yl)-2H-1,3,5-oxadiazine-4-thione CAS Name: 2-(5-bromo-2-hydroxyphenyl)-6-phenyl-3-(1,2,4-triazol-4-yl)-2H-1,3,5-oxadiazine-4-thione IUPAC Name: 2-(5-bromo-2-hydroxyphenyl)-6-phenyl-3-(1,2,4-triazol-4-yl)-2H-1,3,5-oxadiazine-4-thione Traditional Name: 2-(5-bromo-2-hydroxy-phenyl)-6-phenyl-3-(1,2,4-triazol-4-yl)-2H-1,3,5-oxadiazine-4-thione Formula: C17H12BrN5O2S MolecularWeight: 430.27848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=S)N(C(O2)C3=C(C=CC(=C3)Br)O)N4C=NN=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=S)N(C(O2)C3=C(C=CC(=C3)Br)O)N4C=NN=C4

InChI

InChI=1S/C17H12BrN5O2S/c18-12-6-7-14(24)13(8-12)16-23(22-9-19-20-10-22)17(26)21-15(25-16)11-4-2-1-3-5-11/h1-10,16,24H