3-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[2-(1-ethylsulfonylindolin-5-yl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[2-(1-esylindolin-5-yl)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=NNC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=NNC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O4S2/c1-2-31(28,29)25-11-10-16-12-17(8-9-18(16)25)19(26)14-30-21-23-22-20(27)24(21)13-15-6-4-3-5-7-15/h3-9,12H,2,10-11,13-14H2,1H3,(H,22,27)