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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-methylsulfonylindolin-5-yl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(3-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=CN=CC=C5

Isomeric SMILES

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

InChI

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