3-[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-14(19(26)17-13-22-18-10-6-5-9-16(17)18)28-21-24-23-20(27)25(21)12-11-15-7-3-2-4-8-15/h2-10,13-14,22H,11-12H2,1H3,(H,23,27)