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

Systemtic Name: 3-[1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(1-acetylindolin-5-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-benzyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl]sulfanyl-4-benzyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(1-acetylindolin-5-yl)-2-keto-1-methyl-ethyl]thio]-4-benzyl-1H-1,2,4-triazol-5-one Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)SC3=NNC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)SC3=NNC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S/c1-14(20(28)18-8-9-19-17(12-18)10-11-25(19)15(2)27)30-22-24-23-21(29)26(22)13-16-6-4-3-5-7-16/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,29)