6-[[5-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine

Systemtic Name: 6-[[5-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Openeye Name: 6-[[4-allyl-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine CAS Name: 6-[[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]phenanthridine IUPAC Name: 6-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Traditional Name: 6-[[[4-allyl-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]phenanthridine Formula: C26H21FN4OS MolecularWeight: 456.534543

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C4=CC=CC=C42)COC5=CC=CC=C5F

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C4=CC=CC=C42)COC5=CC=CC=C5F

InChI

InChI=1S/C26H21FN4OS/c1-2-15-31-25(16-32-24-14-8-6-12-21(24)27)29-30-26(31)33-17-23-20-11-4-3-9-18(20)19-10-5-7-13-22(19)28-23/h2-14H,1,15-17H2