2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-indolin-1-yl-propan-1-one CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(2,3-dihydroindol-1-yl)-1-propanone IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-indolin-1-yl-propan-1-one Formula: C26H22N4O3S MolecularWeight: 470.54288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)SC3=NN=C(N3C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C21)SC3=NN=C(N3C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H22N4O3S/c1-17(25(31)29-14-13-18-7-5-6-10-21(18)29)34-26-28-27-24(30(26)20-8-3-2-4-9-20)19-11-12-22-23(15-19)33-16-32-22/h2-12,15,17H,13-14,16H2,1H3