1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(1-methylsulfonylindolin-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(1-mesylindolin-5-yl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C13H14N4O3S2 MolecularWeight: 338.40526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=NC=NN3

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=NC=NN3

InChI

InChI=1S/C13H14N4O3S2/c1-22(19,20)17-5-4-9-6-10(2-3-11(9)17)12(18)7-21-13-14-8-15-16-13/h2-3,6,8H,4-5,7H2,1H3,(H,14,15,16)