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

Systemtic Name: 3-[(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(1S)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)[C@H](C)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-14-9-10-15(2)18(13-14)19(25)16(3)27-21-23-22-20(26)24(21)12-11-17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,22,26)/t16-/m0/s1