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

Systemtic Name: 3-[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C20H21N3O2S MolecularWeight: 367.46464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NNC(=O)N2CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NNC(=O)N2CC3=CC=CC=C3)C

InChI

InChI=1S/C20H21N3O2S/c1-13-9-10-17(11-14(13)2)18(24)15(3)26-20-22-21-19(25)23(20)12-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,21,25)