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

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylsulfonylindolin-5-yl)ethanone CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-(1-mesylindolin-5-yl)ethanone Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C22H22N4O3S2/c1-31(28,29)25-12-11-16-13-17(9-10-19(16)25)20(27)14-30-22-23-21(15-7-8-15)26(24-22)18-5-3-2-4-6-18/h2-6,9-10,13,15H,7-8,11-12,14H2,1H3