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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=NNC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=NNC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-13-18(16-10-6-7-11-17(16)22-13)19(26)14(2)28-21-24-23-20(27)25(21)12-15-8-4-3-5-9-15/h3-11,14,22H,12H2,1-2H3,(H,23,27)