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

Systemtic Name: 3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(1-methylsulfonylindolin-5-yl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(1-mesylindolin-5-yl)ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4S2/c1-3-7-19-15(22)17-18-16(19)25-10-14(21)12-4-5-13-11(9-12)6-8-20(13)26(2,23)24/h4-5,9H,3,6-8,10H2,1-2H3,(H,17,22)