(2R)-1-(2,3-dihydroindol-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one

Systemtic Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Openeye Name: (2R)-1-indolin-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one CAS Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-(1H-1,2,4-triazol-5-ylthio)-1-propanone IUPAC Name: (2R)-1-(2,3-dihydroindol-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Traditional Name: (2R)-1-indolin-1-yl-2-(1H-1,2,4-triazol-5-ylthio)propan-1-one Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)SC3=NC=NN3

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C21)SC3=NC=NN3

InChI

InChI=1S/C13H14N4OS/c1-9(19-13-14-8-15-16-13)12(18)17-7-6-10-4-2-3-5-11(10)17/h2-5,8-9H,6-7H2,1H3,(H,14,15,16)/t9-/m1/s1