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

Systemtic Name: 3-[1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S/c1-14-19(17-10-6-7-11-18(17)23-14)20(27)15(2)29-22-25-24-21(28)26(22)13-12-16-8-4-3-5-9-16/h3-11,15,23H,12-13H2,1-2H3,(H,24,28)