6-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine

Systemtic Name: 6-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Openeye Name: 6-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine CAS Name: 6-[[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]phenanthridine IUPAC Name: 6-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenanthridine Traditional Name: 6-[[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]phenanthridine Formula: C25H20N4O2S MolecularWeight: 440.5169

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC3=CC=CC=C3C4=CC=CC=C42)C5COC6=CC=CC=C6O5

Isomeric SMILES

CN1C(=NN=C1SCC2=NC3=CC=CC=C3C4=CC=CC=C42)C5COC6=CC=CC=C6O5

InChI

InChI=1S/C25H20N4O2S/c1-29-24(23-14-30-21-12-6-7-13-22(21)31-23)27-28-25(29)32-15-20-18-10-3-2-8-16(18)17-9-4-5-11-19(17)26-20/h2-13,23H,14-15H2,1H3