(E)-3-(benzotriazol-1-yl)-2-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-ol

Systemtic Name: (E)-3-(benzotriazol-1-yl)-2-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-ol Openeye Name: (E)-3-(benzotriazol-1-yl)-2-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-ol CAS Name: (E)-3-(1-benzotriazolyl)-2-(4-bromophenyl)-3-(4-fluorophenyl)-2-propen-1-ol IUPAC Name: (E)-3-(benzotriazol-1-yl)-2-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-ol Traditional Name: (E)-3-(benzotriazol-1-yl)-2-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-en-1-ol Formula: C21H15BrFN3O MolecularWeight: 424.265703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(=C(CO)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2/C(=C(/CO)\C3=CC=C(C=C3)Br)/C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15BrFN3O/c22-16-9-5-14(6-10-16)18(13-27)21(15-7-11-17(23)12-8-15)26-20-4-2-1-3-19(20)24-25-26/h1-12,27H,13H2/b21-18-