4-butyl-3-[1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(1-acetylindolin-5-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]thio]-4-butyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(1-acetylindolin-5-yl)-2-keto-1-methyl-ethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C)C(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SC(C)C(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C

InChI

InChI=1S/C19H24N4O3S/c1-4-5-9-23-18(26)20-21-19(23)27-12(2)17(25)15-6-7-16-14(11-15)8-10-22(16)13(3)24/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,20,26)