4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-[1]benzofuro[3,2-d]pyrimidine

Systemtic Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]benzofuro[3,2-d]pyrimidine CAS Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]benzofuro[3,2-d]pyrimidine IUPAC Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]benzofuro[3,2-d]pyrimidine Formula: C26H17N5O3S MolecularWeight: 479.50988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SC5=NC=NC6=C5OC7=CC=CC=C76

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SC5=NC=NC6=C5OC7=CC=CC=C76

InChI

InChI=1S/C26H17N5O3S/c1-2-8-16(9-3-1)31-24(21-14-32-19-12-6-7-13-20(19)33-21)29-30-26(31)35-25-23-22(27-15-28-25)17-10-4-5-11-18(17)34-23/h1-13,15,21H,14H2