(E)-1-[4-(4-bromophenyl)-2-tert-butyl-5-phenyl-1,2,4-triazol-4-ium-3-yl]-3-ethoxy-3-oxidanyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-bromophenyl)-2-tert-butyl-5-phenyl-1,2,4-triazol-4-ium-3-yl]-3-ethoxy-3-oxidanyl-prop-2-en-1-one Openeye Name: (E)-1-[4-(4-bromophenyl)-2-tert-butyl-5-phenyl-1,2,4-triazol-4-ium-3-yl]-3-ethoxy-3-hydroxy-prop-2-en-1-one CAS Name: (E)-1-[4-(4-bromophenyl)-2-tert-butyl-5-phenyl-1,2,4-triazol-4-ium-3-yl]-3-ethoxy-3-hydroxy-2-propen-1-one IUPAC Name: (E)-1-[4-(4-bromophenyl)-2-tert-butyl-5-phenyl-1,2,4-triazol-4-ium-3-yl]-3-ethoxy-3-hydroxyprop-2-en-1-one Traditional Name: (E)-1-[4-(4-bromophenyl)-2-tert-butyl-5-phenyl-1,2,4-triazol-4-ium-3-yl]-3-ethoxy-3-hydroxy-prop-2-en-1-one Formula: C23H25BrN3O3+ MolecularWeight: 471.3669

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC(=O)C1=[N+](C(=NN1C(C)(C)C)C2=CC=CC=C2)C3=CC=C(C=C3)Br)O

Isomeric SMILES

CCO/C(=C/C(=O)C1=[N+](C(=NN1C(C)(C)C)C2=CC=CC=C2)C3=CC=C(C=C3)Br)/O

InChI

InChI=1S/C23H24BrN3O3/c1-5-30-20(29)15-19(28)22-26(18-13-11-17(24)12-14-18)21(16-9-7-6-8-10-16)25-27(22)23(2,3)4/h6-15H,5H2,1-4H3/p+1