2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-methylsulfonylindolin-5-yl)ethanone CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(1-mesylindolin-5-yl)ethanone Formula: C21H21N5O3S2 MolecularWeight: 455.55314

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5

InChI

InChI=1S/C21H21N5O3S2/c1-31(28,29)25-11-8-15-12-16(2-5-18(15)25)19(27)13-30-21-24-23-20(26(21)17-3-4-17)14-6-9-22-10-7-14/h2,5-7,9-10,12,17H,3-4,8,11,13H2,1H3