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

Systemtic Name: 3-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(1-ethylsulfonylindolin-5-yl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(1-esylindolin-5-yl)-2-keto-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)CC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)CC

InChI

InChI=1S/C17H22N4O4S2/c1-3-8-20-16(23)18-19-17(20)26-11-15(22)13-5-6-14-12(10-13)7-9-21(14)27(24,25)4-2/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,18,23)